EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225155 - Gibbosic acid J

Default Structure
ChEBI IDCHEBI:225155
ChEBI NameGibbosic acid J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
SMILESC/C(=C\C(=O)C[C@H](C)C(=O)O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C([C@@H](O)[C@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChIInChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17,19,21,24-25,34-36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+/t15-,17+,19-,21+,24+,25-,28-,29-,30-/m0/s1
InChIKeyDDISIVDLQGVXCN-XIZGVELHSA-N
Species of MetaboliteComponentSourceComments
Ganoderma gibbosum (ncbitaxon:34460) - PubMed (31310122)
ChEBI Ontology
Outgoing Relation(s)
Gibbosic acid J (CHEBI:225155) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,2S)-2-methyl-4-oxo-6-[(5R,10S,11R,12R,13R,14R,15R,17R)-11,12,15-trihydroxy-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoic acid