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CHEBI:225193 - Gibbosicolid B

Default Structure
ChEBI IDCHEBI:225193
ChEBI NameGibbosicolid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O6
Net Charge0
Average Mass496.644
Monoisotopic Mass496.28249
SMILESC/C(=C\[C@H]1C[C@H](C)C(=O)O1)[C@H]1C[C@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132
InChIInChI=1S/C30H40O6/c1-15(10-17-11-16(2)25(34)35-17)18-12-23(33)29(7)28(18,6)22(32)13-20-27(5)9-8-21(31)26(3,4)19(27)14-24-30(20,29)36-24/h10,13,16-19,23-24,33H,8-9,11-12,14H2,1-7H3/b15-10+/t16-,17-,18+,19-,23-,24+,27-,28-,29+,30-/m0/s1
InChIKeyDBCOZDMIVDWFEY-PMTMIFSDSA-N
Species of MetaboliteComponentSourceComments
Ganoderma gibbosum (ncbitaxon:34460) - PubMed (31310122)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Gibbosicolid B (CHEBI:225193) is a withanolide (CHEBI:74716)
IUPAC Name 
(1R,3R,5R,10S,14R,15R,17S,18S)-17-hydroxy-6,6,10,14,18-pentamethyl-15-[(E)-1-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]prop-1-en-2-yl]-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-ene-7,13-dione
Manual XrefsDatabases
128439183ChemSpider