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CHEBI:184580 - Amorphigenol O-glucoside

ChEBI IDCHEBI:184580
ChEBI NameAmorphigenol O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O13
Net Charge0
Average Mass590.578
Monoisotopic Mass590.19994
SMILESCOc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(CO)O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)O4
InChIInChI=1S/C29H34O13/c1-29(11-31,42-28-26(35)25(34)24(33)19(9-30)41-28)21-7-14-15(39-21)5-4-12-23(32)22-13-6-17(36-2)18(37-3)8-16(13)38-10-20(22)40-27(12)14/h4-6,8,19-22,24-26,28,30-31,33-35H,7,9-11H2,1-3H3/t19?,20?,21?,22?,24-,25+,26?,28+,29?/m1/s1
InChIKeyLRSAWVIIJXAORQ-FQNIOHKYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Amorphigenol O-glucoside (CHEBI:184580) is a rotenones (CHEBI:72581)
IUPAC Name 
6-[1-hydroxy-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
Manual XrefsDatabases
24842933ChemSpider
LMPK12060005LIPID MAPS