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CHEBI:225181 - Gibbosic acid O

Default Structure
ChEBI IDCHEBI:225181
ChEBI NameGibbosic acid O
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=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C
InChIInChI=1S/C30H40O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(33)29(6)19-8-9-22-27(3,4)23(32)10-11-28(22,5)21(19)15-25(34)30(20,29)7/h8,12,15,17,20,22,24,33H,9-11,13-14H2,1-7H3,(H,35,36)/b16-12+/t17-,20+,22-,24-,28+,29+,30-/m0/s1
InChIKeyAWDXEDPZZFRKNY-VTOTWIFMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma gibbosum (ncbitaxon:34460) - PubMed (31310122)
ChEBI Ontology
Outgoing Relation(s)
Gibbosic acid O (CHEBI:225181) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,2S)-6-[(5R,10S,13R,14S,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,12-dioxo-2,5,6,15,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid