Ascorbic Acid
fo-dc2c1dbf4dc301f0
Identity
- Type
- NeutralMolecule
- CAS
- 50-81-7
- EC
- 200-066-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
127- (+)-Ascorbic acid
- (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one
- 100M
- 3-keto-L-Gulofuranolactone
- 3-Oxo-L-gulofuranolactone
- 5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone
- 5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5H-furan-2-one
- 5-(1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one
- acide ascorbique
- acido ascorbico
- acidum ascorbicum
- acidum ascorbinicum
- Adenex
- Allercorb
- Antiscorbic vitamin
- Antiscorbutic vitamin
- Ascoltin
- Ascorbajen
- Ascorbalox
- Ascorbicap
- Ascorbinsaeure
- Ascorbutina
- Ascorell
- Ascorin
- Ascorteal
- Ascorvit
- Bovi-C
- C-L 6/PW
- C-Quin
- C-Vimin
- Cantan
- Cantaxin
- Catavin C
- Ce-Mi-Lin
- Ce-Vi-Sol
- Cebicure
- Cebion
- Cebione
- Cecon
- Cegiolan
- Ceglion
- Ceklin
- Celaskon
- Celin
- Cell C
- Cemagyl
- Cenetone
- Cereon
- Cergona
- Cescorbat
- Cetamid
- Cetane-Caps TC
- Cetebe
- Cetemican
- Cevalin
- Cevarol
- Cevatine
- Cevex
- Cevimin
- Cevital
- Cevitamic acid
- Cevitamin
- Cevitan
- Cevitex
- Cewin
- Chewcee
- Ciamin
- Cinal
- Cipca
- Citrovit
- Colascor
- Concemin
- Davitamon C
- E300
- Emvit-C
- Energil C
- Hicee
- Hybrin
- IDO-C
- Juvamine
- Kangbingfeng
- L-(+)-ascorbic acid
- L-3-Keto-threo-hexuronic acid lactone
- L-Ascorbate
- L-Ascorbic acid
- L-Lyxoascorbic acid
- L-threo-Ascorbic acid
- L-threo-Hex-2-enonic acid, γ-lactone
- L-threo-hex-2-enono-1,4-lactone
- L-Xyloascorbic acid
- Laroscorbine
- Lemascorb
- Liqui-Cee
- MeSH ID: D001205
- Monovitan C
- Neo-Valdrin
- Novasol Cof
- Pascorbin
- Planavit C
- Proscorbin
- Redoxon
- Ribena
- Rovimix C
- Rovimix C-EC
- Scorbu C
- Secorbate
- Suncoat VC 40
- Tanvimil C
- Testascorbic
- Vaginorm-C
- Vasc
- Vicelat
- Vicin
- Viforcit
- Viscorin
- Vitace
- Vitacee
- Vitacimin
- Vitacin
- Vitamin C
- Vitamin C Type S
- Vitamin C Type SS
- Vitaminum C Aflofarm
- Vitamisin
- Vitascorbol
- Xitix
- Xyloascorbic acid, L-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CIWBSHSKHKDKBQ-JLAZNSOCSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 |
| Isomeric SMILES string chemrof:isomeric_smiles_string | O=C1O[C@H]([C@@H](O)CO)C(O)=C1O |
| IUPAC name chemrof:IUPAC_name | Ascorbic Acid |
| Molecular formula chemrof:molecular_formula | C6H8O6 |
| Molecular mass chemrof:molecular_mass | 176.124 |
| Monoisotopic mass chemrof:monoisotopic_mass | 176.032088, 176.03209 |
| SMILES string chemrof:smiles_string | O=C1OC(C(O)CO)C(O)=C1O |
Known URLs
66Where 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 |
|---|---|---|
| bpdb | bpdb:2405 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=50-81-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29073 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.105.160 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0379 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5020106 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID50986567 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00126 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00126 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:4072 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/4072 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL196 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL40274 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/ascorbic-acid | enrich_references.pubchem_identifier_url |
| glycosmos.org | https://glycosmos.org/glycans/show/G06868CT | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:4087 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PQ6CK8PD0R | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0000044 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2936.27.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.301I | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J301.821K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C00072 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D00018 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C00072 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D00018 | enrich_references.pubchem_identifier_url |
| knapsack | knapsack:C00001179 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42577 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=ASCORBATE | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C285 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68507 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:ASC | enrich_references.chebi_xrefs |
| pharos.nih.gov | https://pharos.nih.gov/ligands/ZRMQKAYFG21N | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL196 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/54670067 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=002072 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10799361 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12180551 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12569111 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15917019 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15925292 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15949874 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16425787 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16522902 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16611389 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16725131 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17253561 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17623524 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/17636648 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18813862 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19273781 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19580823 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19692922 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22770225 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3015170 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/491997 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/5477017 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/7711198 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8467348 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8726814 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9506998 | enrich_references.chebi_xrefs |
| reaxys | reaxys:84272 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1151 | enrich_references.pubchem_identifier_url |
| wikidata.org | https://www.wikidata.org/wiki/Q199678 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Ascorbic_Acid | enrich_references.chebi_xrefs |
| Wikipedia | https://en.wikipedia.org/wiki/Ascorbic_acid | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Vitamin_C | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 187fa881-d1eb-4aa6-91e9-a860a134d6ec | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4e42ce40-6706-45a5-8906-b21d1fd12766 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 60a0bd6c-deb1-47c8-b66b-cdc2de082670 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 63303664-88b7-46cd-b5b8-f1499cad4114 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 87e55e3a-1696-49c2-bde9-7f20033e2b84 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4bd28b57-4322-4163-a216-9ecb7fb55c4a | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 142b20bc-0c43-4ae3-a3f0-d896b7845ef7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| f2e49d61-dece-4d01-8e3c-6b38d17b53cf | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 251c7472-72fa-4251-921b-c952a0e67854 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 670a05c4-9925-41f4-b9fa-25aa97c8f4a5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ffd3861c-6842-4fa9-ab9d-0258c5e97694 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 171e37f8-9b0f-495a-912a-14016e7eea33 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 1aa171ef-da7b-4b68-bffb-a31e8077dad1 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-dc2c1dbf4dc301f0",
"prefLabel": [
{
"@value": "Ascorbic Acid",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "(+)-Ascorbic acid",
"@language": "en",
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"provenance": {
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"CAS:50-81-7",
"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one",
"@language": "en",
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"provenance": {
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"EF 3.1",
"http://purl.obolibrary.org/obo/CHEBI_29073"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "100M",
"@language": "en",
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"prov:hadPrimarySource": [
"CAS:50-81-7",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-keto-L-Gulofuranolactone",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "3-Oxo-L-gulofuranolactone",
"@language": "en",
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"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
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"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone",
"@language": "en",
"@lang": "en",
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"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-(1,2-Dihydroxyethyl)-3,4-dihydroxy-5H-furan-2-one",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "5-(1,2-Dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "acide ascorbique",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "acido ascorbico",
"@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_29073"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "acidum ascorbicum",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1",
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],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "acidum ascorbinicum",
"@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_29073"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Adenex",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Allercorb",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Antiscorbic vitamin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Antiscorbutic vitamin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ascoltin",
"@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_29073"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ascorbajen",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ascorbalox",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:50-81-7",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=50-81-7"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ascorbicap",
"@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_29073"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ascorbinsaeure",
"@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_29073"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "Ascorbutina",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
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