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CHEBI:185733 - Stoloniferone M

ChEBI IDCHEBI:185733
ChEBI NameStoloniferone M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O4
Net Charge0
Average Mass458.683
Monoisotopic Mass458.33961
SMILES[H][C@@]12CC[C@]([H])([C@H](C)[C@@]3([H])C[C@]3([H])[C@H](C)C(C)C)[C@@]1(C)C[C@@H](O)[C@@]1([H])[C@@]2([H])C[C@@]2([H])O[C@]23C[C@@H](O)CC(=O)[C@@]31C
InChIInChI=1S/C29H46O4/c1-14(2)15(3)18-10-19(18)16(4)21-7-8-22-20-11-25-29(33-25)12-17(30)9-24(32)28(29,6)26(20)23(31)13-27(21,22)5/h14-23,25-26,30-31H,7-13H2,1-6H3/t15-,16-,17+,18-,19-,20+,21-,22+,23-,25-,26-,27-,28-,29-/m1/s1
InChIKeyNHJWQKUVNWORED-UVOAWXSQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Stoloniferone M (CHEBI:185733) has parent hydride gorgostane (CHEBI:24424)
Stoloniferone M (CHEBI:185733) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,5R,7S,9R,11S,12S,15R,16R,18R)-5,18-dihydroxy-2,16-dimethyl-15-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Manual XrefsDatabases
LMST01060015LIPID MAPS
20565221ChemSpider