Consensus flow list

Tetracycline

fo-3f744e595d8908b4

Identity

Type
Neutral molecule
CAS
60-54-8
EC
200-481-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Tetracycline

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

81

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NWXMGUDVXFXRIG-WESIUVDSSA-N, OFVLGDICTFRJMM-WESIUVDSSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
IUPAC name chemrof:IUPAC_name (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Molecular formula chemrof:molecular_formula C22H24N2O8
SMILES string chemrof:smiles_string CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12

Known URLs

50

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=60-54-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27902 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID201371250 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7023645 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00759 enrich_references.chebi_xrefs
drugcentral drugcentral:2611 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2611 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1440 enrich_references.pubchem_identifier_url
gmelin gmelin:1103368 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F8VB5M810T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.417.002B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J209.316B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06570 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00201 enrich_references.chebi_xrefs
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD0-1414 enrich_references.chebi_xrefs
patent patent:US2699054 enrich_references.chebi_xrefs
patent patent:US2712517 enrich_references.chebi_xrefs
patent patent:US2886595 enrich_references.chebi_xrefs
patent patent:US3005023 enrich_references.chebi_xrefs
patent patent:US3019173 enrich_references.chebi_xrefs
patent patent:US3301899 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:TAC enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA451640 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1440 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54675776 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001300 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=110810 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11061623 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11550419 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11744940 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12934399 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14585720 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15825421 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15913752 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16443056 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1650428 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16749547 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17251127 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17260506 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18326855 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18406588 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19032078 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19112759 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19136803 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25286144 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26876942 enrich_references.chebi_xrefs
reaxys reaxys:2230417 enrich_references.chebi_xrefs
vsdb vsdb:1739 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q193045 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tetracycline enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
efdd5d52-1b14-4984-b36b-0a06ac40e611 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fbfe4ef3-248c-4bd4-9188-1af8fdbe302d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3c756d03-4de0-48d8-8d95-65d45455d50f Environmental → Air → Indoor EF 3.1 kg 2
64b20c87-83d0-4eb0-8098-ed3d8ecc5c63 Environmental → Air → Long-term EF 3.1 kg 0
b5d1b356-54bd-482d-b618-9253cb6f11a2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e95e2f37-6e41-43ed-b45b-c8cdda97f73f Environmental → Air → Unknown EF 3.1 kg 2
ac673c67-e6c9-4286-8313-11e24f5342cc Environmental → Ground → Agricultural EF 3.1 kg 2
b745b86f-7504-4ffc-8e31-b5717dc4596a Environmental → Ground → Non-agricultural EF 3.1 kg 2
c245d0ee-055f-4ae2-b6b7-f41ff511fac9 Environmental → Ground → Unknown EF 3.1 kg 2
9b58820d-d88f-4988-867d-6dd86341679d Environmental → Water → Long-term EF 3.1 kg 0
cb92f0f9-0b83-4448-b644-6514e588284d Environmental → Water → Ocean EF 3.1 kg 2
f8c8a765-0714-4c35-8f30-86b445ed5942 Environmental → Water → Surface water EF 3.1 kg 2
3cdea544-56dc-4902-86b8-f57d2319fcec Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3f744e595d8908b4",
  "prefLabel": [
    {
      "@value": "Tetracycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(-)-Tetracycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_27902"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(4S,4aS,5aS,6S,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_27902"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aS,5aS,6S,12aS)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, [4S-(4α,4aα,5aα,6β,12aα)]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Abramycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_27902"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Achromycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_27902"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Achromycin (naphthacene derivative)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acromicina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Actisite",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Agromicina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Akne-Pyodron",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Akne-Pyodron Kur",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ambramicina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ambramycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Anhydrotetracycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_27902"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Apo-Tetra",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Arcanacycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bio-Tetra",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Biocycline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Britaciclina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calociclina",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ciclibion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyclomycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cytome",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60-54-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60-54-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Deschlorobiomycin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_27902"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dispatetrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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