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CHEBI:169818 - Amorphigenol O-vicianoside

ChEBI IDCHEBI:169818
ChEBI NameAmorphigenol O-vicianoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42O17
Net Charge0
Average Mass722.693
Monoisotopic Mass722.24220
SMILESCOc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(CO)O[C@@H]1OC(CO[C@@H]2OC[C@H](O)C(O)C2O)[C@@H](O)[C@H](O)C1O)O4
InChIInChI=1S/C34H42O17/c1-34(12-35,51-33-30(42)28(40)27(39)22(50-33)11-47-32-29(41)26(38)16(36)9-46-32)23-7-15-17(48-23)5-4-13-25(37)24-14-6-19(43-2)20(44-3)8-18(14)45-10-21(24)49-31(13)15/h4-6,8,16,21-24,26-30,32-33,35-36,38-42H,7,9-12H2,1-3H3/t16-,21?,22?,23?,24?,26?,27+,28-,29?,30?,32-,33-,34?/m0/s1
InChIKeyKGNQFVOROXFGAU-RSSWFWKPSA-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)
Amorphigenol O-vicianoside (CHEBI:169818) is a rotenones (CHEBI:72581)
IUPAC Name 
6-[1-hydroxy-2-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]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
24842934ChemSpider
LMPK12060006LIPID MAPS