EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168304 - Dalpanol O-glucoside

ChEBI IDCHEBI:168304
ChEBI NameDalpanol O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O12
Net Charge0
Average Mass574.579
Monoisotopic Mass574.20503
SMILESCOc1cc2c(cc1OC)C1C(=O)c3ccc4c(c3OC1CO2)CC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)O4
InChIInChI=1S/C29H34O12/c1-29(2,41-28-26(34)25(33)24(32)19(10-30)40-28)21-8-14-15(38-21)6-5-12-23(31)22-13-7-17(35-3)18(36-4)9-16(13)37-11-20(22)39-27(12)14/h5-7,9,19-22,24-26,28,30,32-34H,8,10-11H2,1-4H3
InChIKeyXLAVQLXQQIQYSX-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)
Dalpanol O-glucoside (CHEBI:168304) is a rotenones (CHEBI:72581)
IUPAC Name 
16,17-dimethoxy-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-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
24842932ChemSpider
LMPK12060004LIPID MAPS