CHEBI:201497 - Anguinomycin A

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ChEBI Name Anguinomycin A
ChEBI ID CHEBI:201497
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H44O6
Net Charge 0
Average Mass 512.687
Monoisotopic Mass 512.31379
InChI InChI=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)
InChIKey SGYKTDIJCLHSET-UHFFFAOYSA-N
SMILES O=C1OC(C=CC(=CC(CC=CC(=CC(C(=O)C(C(O)C(CC(=CC(=O)O)C)C)C)C)C)C)C)CC=C1
ChEBI Ontology
Outgoing 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