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CHEBI:168556 - 12-Dihydrodalbinol O-glucoside

ChEBI IDCHEBI:168556
ChEBI Name12-Dihydrodalbinol O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O13
Net Charge0
Average Mass590.578
Monoisotopic Mass590.19994
SMILESC=C(CO[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2(O)C3O)O1
InChIInChI=1S/C29H34O13/c1-12(10-39-28-25(33)24(32)23(31)21(9-30)41-28)17-6-14-16(40-17)5-4-13-26(14)42-22-11-38-18-8-20(37-3)19(36-2)7-15(18)29(22,35)27(13)34/h4-5,7-8,17,21-25,27-28,30-35H,1,6,9-11H2,2-3H3/t17?,21?,22?,23-,24+,25?,27?,28-,29?/m1/s1
InChIKeySFNXYXPFXFEMOK-BMEUIMBSSA-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)
12-Dihydrodalbinol O-glucoside (CHEBI:168556) is a glycoside (CHEBI:24400)
12-Dihydrodalbinol O-glucoside (CHEBI:168556) is a rotenoid (CHEBI:71543)
IUPAC Name 
(2R,4S,5S)-2-[2-(12,13-dihydroxy-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-6-yl)prop-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
24842944ChemSpider
LMPK12060032LIPID MAPS