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CHEBI:185180 - Dalbinol O-glucoside

ChEBI IDCHEBI:185180
ChEBI NameDalbinol O-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O13
Net Charge0
Average Mass588.562
Monoisotopic Mass588.18429
SMILESC=C(COC1OC(CO)C(O)C(O)C1O)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2(O)C3=O)O1
InChIInChI=1S/C29H32O13/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/h4-5,7-8,17,21-25,28,30-33,35H,1,6,9-11H2,2-3H3
InChIKeyMLGRWAZPBZFAGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Dalbinol O-glucoside (CHEBI:185180) is a glycoside (CHEBI:24400)
Dalbinol O-glucoside (CHEBI:185180) is a rotenoid (CHEBI:71543)
IUPAC Name 
13-hydroxy-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
LMPK12060031LIPID MAPS
24842943ChemSpider