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CHEBI:225217 - Gibbosicolid G

Default Structure
ChEBI IDCHEBI:225217
ChEBI NameGibbosicolid G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O7
Net Charge0
Average Mass526.670
Monoisotopic Mass526.29305
SMILESC=C(C)[C@@H]1C[C@H]2O[C@@]23C(=CC(=O)[C@]2(C)[C@@H](C(C)=C[C@H]4C[C@H](C)C(=O)O4)C[C@H](O)[C@]23C)[C@@]1(C)CCC(=O)OC
InChIInChI=1S/C31H42O7/c1-16(2)20-14-25-31(38-25)22(28(20,5)10-9-26(34)36-8)15-23(32)29(6)21(13-24(33)30(29,31)7)17(3)11-19-12-18(4)27(35)37-19/h11,15,18-21,24-25,33H,1,9-10,12-14H2,2-8H3/t18-,19-,20-,21+,24-,25+,28-,29-,30+,31-/m0/s1
InChIKeyXMYLZWSISVUIGW-PYGZSJEDSA-N
Species of MetaboliteComponentSourceComments
Ganoderma gibbosum (ncbitaxon:34460) - PubMed (31310122)
ChEBI Ontology
Outgoing Relation(s)
Gibbosicolid G (CHEBI:225217) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl 3-[(1R,2S,3S,5R,6R,10S,11S,13R)-3-hydroxy-2,6,10-trimethyl-5-[1-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-7-oxo-11-prop-1-en-2-yl-14-oxatetracyclo[7.5.0.01,13.02,6]tetradec-8-en-10-yl]propanoate