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CHEBI:185506 - Episceptrumgenin

Default Structure
ChEBI IDCHEBI:185506
ChEBI NameEpisceptrumgenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O3
Net Charge0
Average Mass412.614
Monoisotopic Mass412.29775
SMILES[H][C@@]12CC=C3C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CCC(=C)CO3)[C@@H](C)[C@]12[H]
InChIInChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,17,19-24,28H,1,6-15H2,2-4H3/t17-,19+,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKeyIGBSLGDQPHOZBX-OOCAKNLUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Episceptrumgenin (CHEBI:185506) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,2S,4S,6R,7S,8R,9S,12S,13R,16R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
Manual XrefsDatabases
113385332ChemSpider
LMST01080050LIPID MAPS