CHEBI:183533 - Ganoderenic acid A

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ChEBI Name Ganoderenic acid A
ChEBI ID CHEBI:183533
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H42O7
Net Charge 0
Average Mass 514.659
Monoisotopic Mass 514.29305
InChI InChI=1S/C30H42O7/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/h10,16,18-19,21,23,32,35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16?,18-,19+,21?,23+,28+,29-,30+/m1/s1
InChIKey OVUOUFPIPZJGME-HRKVNZLKSA-N
SMILES O[C@@H]1[C@@]2([C@@]([C@H](C1)/C(/C)=C/C(=O)CC(C)C(O)=O)(CC(=O)C3=C2[C@@H](O)CC4[C@@]3(CCC(=O)C4(C)C)C)C)C
Metabolite of Species Details
Ganoderma lucidum (NCBI:txid5315) Found in fruit body (BTO:0000487). See: MetaboLights Study
Ganoderma lucidum (NCBI:txid5315) Found in primordium (BTO:0001886). See: MetaboLights Study
Ganoderma lucidum (NCBI:txid5315) See: DOI
ChEBI Ontology
Outgoing Ganoderenic acid A (CHEBI:183533) is a triterpenoid (CHEBI:36615)
IUPAC Names
(E)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid
(E)-6-[(7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid
Manual Xrefs Databases
28481944 ChemSpider
4946189 ChemSpider
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Registry Number Type Source
100665-40-5 CAS Registry Number ChemIDplus