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CHEBI:206493 - Acetyl ganohainanic acid A

Default Structure
ChEBI IDCHEBI:206493
ChEBI NameAcetyl ganohainanic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O9
Net Charge0
Average Mass572.695
Monoisotopic Mass572.29853
SMILESCC(=O)OC[C@]1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC(=O)C[C@H](C)C(=O)O)[C@@]1(C)CC3=O
InChIInChI=1S/C32H44O9/c1-16(10-19(34)11-17(2)28(39)40)20-12-25(38)32(7)27-21(35)13-23-29(4,26(27)22(36)14-31(20,32)6)9-8-24(37)30(23,5)15-41-18(3)33/h16-17,20,23,25,38H,8-15H2,1-7H3,(H,39,40)/t16-,17+,20-,23-,25-,29+,30+,31-,32+/m1/s1
InChIKeyFDBSAJLAFMYDGR-ZJNFVYQVSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (25457485)
ChEBI Ontology
Outgoing Relation(s)
Acetyl ganohainanic acid A (CHEBI:206493) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2S,6R)-6-[(4R,5R,10S,13R,14R,15R,17R)-4-(acetyloxymethyl)-15-hydroxy-4,10,13,14-tetramethyl-3,7,11-trioxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Manual XrefsDatabases
78442067ChemSpider