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CHEBI:201497 - Anguinomycin A

ChEBI IDCHEBI:201497
ChEBI NameAnguinomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O6
Net Charge0
Average Mass512.687
Monoisotopic Mass512.31379
SMILESCC(C=CC1CC=CC(=O)O1)=CC(C)CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O
InChIInChI=1S/C31H44O6/c1-20(16-22(3)14-15-27-12-9-13-29(34)37-27)10-8-11-21(2)17-24(5)30(35)26(7)31(36)25(6)18-23(4)19-28(32)33/h8-9,11,13-17,19-20,24-27,31,36H,10,12,18H2,1-7H3,(H,32,33)
InChIKeySGYKTDIJCLHSET-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Anguinomycin A (CHEBI:201497) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
6-hydroxy-3,5,7,9,11,15,17-heptamethyl-8-oxo-19-(6-oxo-2,3-dihydropyran-2-yl)nonadeca-2,10,12,16,18-pentaenoic acid