EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223263 - Anguinomycin C

ChEBI IDCHEBI:223263
ChEBI NameAnguinomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O4
Net Charge0
Average Mass482.705
Monoisotopic Mass482.33961
SMILESC/C=C(\C)CC(C)C(O)C(C)C(=O)C(C)/C=C(C)/C=C/CC(C)/C=C(C)\C=C\C1CC=CC(=O)O1
InChIInChI=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-
InChIKeyFUWBLKXIWLBGHS-BPPRCDGJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7592062)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
8030282ChemSpider