CHEBI:191487 - Ganoderic acid Mg

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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 Ganoderic acid Mg
ChEBI ID CHEBI:191487
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H54O8
Net Charge 0
Average Mass 602.809
Monoisotopic Mass 602.38187
InChI InChI=1S/C35H54O8/c1-19(31(39)40)11-12-25(42-21(3)36)20(2)24-17-28(38)35(9)30-23(13-16-34(24,35)8)33(7)15-14-29(43-22(4)37)32(5,6)27(33)18-26(30)41-10/h11,20,24-29,38H,12-18H2,1-10H3,(H,39,40)/b19-11+
InChIKey SSISLAMFCZQHEH-YBFXNURJSA-N
SMILES OC1C2(C(C(C1)C(C(OC(=O)C)C/C=C(\C)/C(O)=O)C)(CCC=3C4(C(C(C(OC(=O)C)CC4)(C)C)CC(OC)C23)C)C)C
Metabolite of Species Details
Solanum tuberosum (NCBI:txid4113) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Ganoderic acid Mg (CHEBI:191487) is a triterpenoid (CHEBI:36615)
IUPAC Name
(E)-5-acetyloxy-6-(3-acetyloxy-15-hydroxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Manual Xrefs Databases
74886445 ChemSpider
HMDB0035999 HMDB
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