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CHEBI:223973 - 3-O-acetylganoderic acid K

Default Structure
ChEBI IDCHEBI:223973
ChEBI Name3-O-acetylganoderic acid K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O8
Net Charge0
Average Mass558.712
Monoisotopic Mass558.31927
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC(=O)CC(C)C(=O)O)[C@@]1(C)CC3=O
InChIInChI=1S/C32H46O8/c1-16(11-19(34)12-17(2)28(38)39)20-13-24(37)32(8)27-21(35)14-23-29(4,5)25(40-18(3)33)9-10-30(23,6)26(27)22(36)15-31(20,32)7/h16-17,20,23-25,37H,9-15H2,1-8H3,(H,38,39)/t16-,17?,20-,23+,24+,25+,30+,31-,32+/m1/s1
InChIKeyPOQMIGQCVPIYKY-QDUVPPPZSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - DOI (10.1002/hlca.200900028)
ChEBI Ontology
Outgoing Relation(s)
3-O-acetylganoderic acid K (CHEBI:223973) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-6-[(3S,5R,10S,13R,14R,15S,17R)-3-acetyloxy-15-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Manual XrefsDatabases
78441213ChemSpider