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CHEBI:225172 - Gibbosic acid M

Default Structure
ChEBI IDCHEBI:225172
ChEBI NameGibbosic acid M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O6
Net Charge0
Average Mass496.644
Monoisotopic Mass496.28249
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[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C30H40O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)25-19(8-11-29(20,30)6)28(5)10-9-23(33)27(3,4)22(28)15-21(25)32/h8,11-12,17,20,22,24,34H,9-10,13-15H2,1-7H3,(H,35,36)/b16-12+/t17-,20+,22-,24+,28+,29+,30-/m0/s1
InChIKeyFOKGULQDAMDMHZ-MDOZXWPMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma gibbosum (ncbitaxon:34460) - PubMed (31310122)
ChEBI Ontology
Outgoing Relation(s)
Gibbosic acid M (CHEBI:225172) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,2S)-6-[(5R,10S,13R,14R,15R,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid