CHEBI:215163 - Ganodecalone A

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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 Ganodecalone A
ChEBI ID CHEBI:215163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O3
Net Charge 0
Average Mass 454.695
Monoisotopic Mass 454.34470
InChI InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-13-16-29(6)22-11-12-24-27(3,4)25(33)14-15-28(24,5)26(22)23(32)17-30(21,29)7/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28+,29+,30-/m1/s1
InChIKey BELBTILZAXDXSJ-XKPQIJIDSA-N
SMILES O=C1C2=C([C@@]3(CC[C@@H]([C@]3(C1)C)[C@@H](CC/C=C(/CO)\C)C)C)CC[C@@H]4[C@@]2(CCC(C4(C)C)=O)C
Metabolite of Species Details
Ganoderma calidophilum (NCBI:txid2026244) See: PubMed
ChEBI Ontology
Outgoing Ganodecalone A (CHEBI:215163) is a triterpenoid (CHEBI:36615)
IUPAC Name
(5R,10S,13R,14R,17R)-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Manual Xref Database
78442370 ChemSpider
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