EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168397 - Ganolucidic acid A

Default Structure
ChEBI IDCHEBI:168397
ChEBI NameGanolucidic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O6
Net Charge0
Average Mass500.676
Monoisotopic Mass500.31379
SMILES[H][C@@]12CCC3=C(C(=O)C[C@]4(C)[C@@]([H])([C@H](C)CC(=O)C[C@@H](C)C(=O)O)C[C@H](O)[C@@]34C)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H44O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22,24,34H,8-15H2,1-7H3,(H,35,36)/t16-,17-,20-,22+,24+,28+,29-,30-/m1/s1
InChIKeyXRXBNTYHQXKSAO-WRRQQOFWSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1248/cpb.33.2628)
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Ganolucidic acid A (CHEBI:168397) is a triterpenoid (CHEBI:36615)
IUPAC Names 
(2R,6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-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-oxoheptanoic acid
(6R)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-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-oxoheptanoic acid
Manual XrefsDatabases
16737918ChemSpider
417367ChemSpider
Registry NumbersSources
CAS:98665-21-5ChemIDplus