CHEBI:168304 - Dalpanol 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 Dalpanol O-glucoside
ChEBI ID CHEBI:168304
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H34O12
Net Charge 0
Average Mass 574.579
Monoisotopic Mass 574.20503
InChI InChI=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
InChIKey XLAVQLXQQIQYSX-UHFFFAOYSA-N
SMILES O(C(C1OC2=C(C1)C=3OC4C(C(=O)C3C=C2)C=5C(OC4)=CC(OC)=C(OC)C5)(C)C)C6OC(C(O)C(O)C6O)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24842932 ChemSpider
LMPK12060004 LIPID MAPS
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