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CHEBI:225160 - Gibbosic acid K

Default Structure
ChEBI IDCHEBI:225160
ChEBI NameGibbosic acid K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O7
Net Charge0
Average Mass514.659
Monoisotopic Mass514.29305
SMILESC/C(=C\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-24(35)30(7)25-19(13-23(34)29(18,30)6)28(5)9-8-22(33)27(3,4)21(28)14-20(25)32/h10,16,18,21,23-24,34-35H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10+/t16-,18+,21-,23-,24+,28+,29-,30-/m0/s1
InChIKeyYSBMLQVCOATJAG-BDSXUYNDSA-N
Species of MetaboliteComponentSourceComments
Ganoderma gibbosum (ncbitaxon:34460) - PubMed (31310122)
ChEBI Ontology
Outgoing Relation(s)
Gibbosic acid K (CHEBI:225160) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,2S)-6-[(5R,10S,12S,13R,14R,15R,17R)-12,15-dihydroxy-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid