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CHEBI:221963 - Anguinomycin D

ChEBI IDCHEBI:221963
ChEBI NameAnguinomycin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O4
Net Charge0
Average Mass496.732
Monoisotopic Mass496.35526
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\C1CC=CC(=O)O1)CC
InChIInChI=1S/C32H48O4/c1-9-22(3)19-25(6)31(34)27(8)32(35)26(7)20-23(4)13-11-14-24(5)21-28(10-2)17-18-29-15-12-16-30(33)36-29/h9,11-13,16-18,20-21,24-27,29,31,34H,10,14-15,19H2,1-8H3/b13-11+,18-17+,22-9+,23-20+,28-21-
InChIKeySZXKSXNBIHAJNK-VFYJIWPPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (7592062)
ChEBI Ontology
Outgoing Relation(s)
Anguinomycin D (CHEBI:221963) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
2-[(1E,3Z,7E,9E,17E)-3-ethyl-14-hydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-2,3-dihydropyran-6-one
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8030283ChemSpider