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CHEBI:185926 - (-)-Jolkinol B

Default Structure
ChEBI IDCHEBI:185926
ChEBI Name(-)-Jolkinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O5
Net Charge0
Average Mass464.602
Monoisotopic Mass464.25627
SMILES[H][C@@]12C=C(C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)C(O)C3[C@@]3([H])O[C@]3(C)CC[C@]1([H])C2(C)C
InChIInChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15?/t18-,20-,21+,23?,24?,26+,28+,29+/m0/s1
InChIKeyOMBNGHNNZSKBRK-DOJULOQZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(-)-Jolkinol B (CHEBI:185926) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(2R,4R,7S,9R,13R,15S,16S)-16-hydroxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl] (E)-3-phenylprop-2-enoate