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CHEBI:187506 - (-)-Euphomine

ChEBI IDCHEBI:187506
ChEBI Name(-)-Euphomine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O8
Net Charge0
Average Mass556.696
Monoisotopic Mass556.30362
SMILES[H][C@@]12/C=C(\C)C(OC(C)=O)CC(OC(C)=O)C(C)(C)/C=C/[C@H](C)C(OC(C)=O)[C@@]1(O)C[C@H](C)[C@@H]2Oc1ccccc1
InChIInChI=1S/C32H44O8/c1-19-14-15-31(7,8)28(38-23(5)34)17-27(37-22(4)33)20(2)16-26-29(40-25-12-10-9-11-13-25)21(3)18-32(26,36)30(19)39-24(6)35/h9-16,19,21,26-30,36H,17-18H2,1-8H3/b15-14+,20-16+/t19-,21-,26-,27?,28?,29-,30?,32+/m0/s1
InChIKeyKJAZUSMSKFLAQW-LMRGBCEQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(-)-Euphomine (CHEBI:187506) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2S,3aR,5S,6E,12E,13aS)-4,9-diacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-1-phenoxy-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] acetate
Manual XrefsDatabases
24846805ChemSpider