CHEBI:217525 - Ganoderic acid E

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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 E
ChEBI ID CHEBI:217525
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H40O7
Net Charge 0
Average Mass 512.643
Monoisotopic Mass 512.27740
InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)/t15?,16?,18-,21+,28+,29-,30+/m1/s1
InChIKey VBGDQDJVTLQGNO-USLMHDLPSA-N
SMILES O=C1C2=C(C(=O)C[C@@H]3[C@@]2(CCC(C3(C)C)=O)C)[C@@]4(C(=O)C[C@@H]([C@]4(C1)C)C(CC(=O)CC(C(=O)O)C)C)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) See: DOI
ChEBI Ontology
Outgoing Ganoderic acid E (CHEBI:217525) is a triterpenoid (CHEBI:36615)
IUPAC Name
2-methyl-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual Xref Database
8250676 ChemSpider
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