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CHEBI:168325 - Ganosporeric acid A

Default Structure
ChEBI IDCHEBI:168325
ChEBI NameGanosporeric acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O8
Net Charge0
Average Mass526.626
Monoisotopic Mass526.25667
SMILES[H][C@]1([C@H](C)CC(=O)C[C@@H](C)C(=O)O)CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@@]21C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
InChIInChI=1S/C30H38O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19H,8-13H2,1-7H3,(H,37,38)/t14-,15-,17-,19?,28+,29+,30+/m1/s1
InChIKeyAKWNYHCILPEENZ-GESKOEBASA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1615/intjmedmushrooms.v1.i2.40)
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Ganosporeric acid A (CHEBI:168325) is a triterpenoid (CHEBI:36615)
IUPAC Names 
2-methyl-4-oxo-6-[(5R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
(2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual XrefsDatabases
116501ChemSpider
78445577ChemSpider
Registry NumbersSources
CAS:135357-25-4ChemIDplus