Consensus flow list

2-ethoxy-4-formylphenyl Β-d-glucopyranoside

fo-eef23588ca38a478

Identity

Type
NeutralMolecule
CAS
122397-96-0
EC
602-769-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-ethoxy-4-formylphenyl Β-d-glucopyranoside

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SWESETWDPGZBCR-UXXRCYHCSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3/t11-,12-,13+,14-,15-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CCOc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
IUPAC name chemrof:IUPAC_name (4-Formyl-2-ethoxyphenyl) β-d-glucopyranoside
Molecular formula chemrof:molecular_formula C15H20O8
Molecular mass chemrof:molecular_mass 328.317
Monoisotopic mass chemrof:monoisotopic_mass 328.115818
SMILES string chemrof:smiles_string CCOc1cc(C=O)ccc1OC1OC(CO)C(O)C(O)C1O

Known URLs

8

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=122397-96-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.107.049 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50153590 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/ethyl-vanillin-beta-d-glucopyranoside enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/24XJ91ONU1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.544.202F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11163251 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27253884 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9619d5df-90a9-4874-89fb-1f955e7a05c3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5ddfacee-713e-4b60-8787-d62d9781c00e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
273caaa1-bd26-4be6-91b2-c1e1dab02132 Environmental → Air → Indoor EF 3.1 kg 2
010691a7-e5cb-46ab-92ed-d534bd6f682a Environmental → Air → Long-term EF 3.1 kg 0
fe0e44f2-45ac-4a48-880e-201a66f7ef5a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e81fc337-88dc-4bac-b912-c22f3db3733a Environmental → Air → Unknown EF 3.1 kg 2
50bf71d5-99ed-4158-951c-d59cecf8313d Environmental → Ground → Agricultural EF 3.1 kg 2
4f2a6d76-e7d1-4cee-bcd6-cbbc86271599 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e2f5037f-0a12-4f3f-9a0e-ff96b3542646 Environmental → Ground → Unknown EF 3.1 kg 2
28fdcaad-33e7-42a4-ae79-ce7052a01d26 Environmental → Water → Long-term EF 3.1 kg 0
177e8c17-73a3-49c0-a966-b4a2a5ccfb34 Environmental → Water → Ocean EF 3.1 kg 2
9455301b-193d-4f4a-91cf-238fde784567 Environmental → Water → Surface water EF 3.1 kg 2
f3b79626-53b6-4433-8867-a40a3ec496b0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-eef23588ca38a478",
  "prefLabel": [
    {
      "@value": "2-ethoxy-4-formylphenyl Β-d-glucopyranoside",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-Formyl-2-ethoxyphenyl) β-d-glucopyranoside",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Ethoxy-4-(β-D-glucopyranosyloxy)benzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, 3-ethoxy-4-(β-D-glucopyranosyloxy)-",
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    },
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