CHEBI:223263 - Anguinomycin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Anguinomycin C
ChEBI ID CHEBI:223263
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H46O4
Net Charge 0
Average Mass 482.705
Monoisotopic Mass 482.33961
InChI InChI=1S/C31H46O4/c1-9-21(2)19-25(6)30(33)27(8)31(34)26(7)20-23(4)13-10-12-22(3)18-24(5)16-17-28-14-11-15-29(32)35-28/h9-11,13,15-18,20,22,25-28,30,33H,12,14,19H2,1-8H3/b13-10+,17-16+,21-9+,23-20+,24-18-
InChIKey FUWBLKXIWLBGHS-BPPRCDGJSA-N
SMILES O=C1OC(/C=C/C(=C\C(C/C=C/C(=C/C(C(=O)C(C(O)C(C/C(=C/C)/C)C)C)C)/C)C)/C)CC=C1
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Anguinomycin C (CHEBI:223263) is a diterpene lactone (CHEBI:49193)
IUPAC Name
2-[(1E,3Z,7E,9E,17E)-14-hydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-2,3-dihydropyran-6-one
Manual Xref Database
8030282 ChemSpider
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