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CHEBI:169360 - Amorphigenin O-glucoside

ChEBI IDCHEBI:169360
ChEBI NameAmorphigenin O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O12
Net Charge0
Average Mass572.563
Monoisotopic Mass572.18938
SMILESC=C(COC1OC(CO)C(O)C(O)C1O)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1
InChIInChI=1S/C29H32O12/c1-12(10-38-29-27(34)26(33)25(32)21(9-30)41-29)17-7-15-16(39-17)5-4-13-24(31)23-14-6-19(35-2)20(36-3)8-18(14)37-11-22(23)40-28(13)15/h4-6,8,17,21-23,25-27,29-30,32-34H,1,7,9-11H2,2-3H3
InChIKeyCCBXLSSQLOKUNL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Amorphigenin O-glucoside (CHEBI:169360) is a glycoside (CHEBI:24400)
Amorphigenin O-glucoside (CHEBI:169360) is a rotenoid (CHEBI:71543)
IUPAC Name 
16,17-dimethoxy-6-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-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
LMPK12060002LIPID MAPS
2397089ChemSpider