CHEBI:185180 - Dalbinol O-glucoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dalbinol O-glucoside
ChEBI ID CHEBI:185180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H32O13
Net Charge 0
Average Mass 588.562
Monoisotopic Mass 588.18429
InChI InChI=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
InChIKey MLGRWAZPBZFAGL-UHFFFAOYSA-N
SMILES O1C2C(O)(C=3C(OC2)=CC(OC)=C(OC)C3)C(=O)C4=C1C=5CC(OC5C=C4)C(COC6OC(C(O)C(O)C6O)CO)=C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24842943 ChemSpider
LMPK12060031 LIPID MAPS
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