CHEBI:169360 - Amorphigenin 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 Amorphigenin O-glucoside
ChEBI ID CHEBI:169360
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H32O12
Net Charge 0
Average Mass 572.563
Monoisotopic Mass 572.18938
InChI InChI=1S/C29H32O12/c1-12(10-38-29-27(34)26(33)25(32)21(9-30)41-29)17-7-15-16(39-17)5-4-13-24(31)23-14-6-19(35-2)20(36-3)8-18(14)37-11-22(23)40-28(13)15/h4-6,8,17,21-23,25-27,29-30,32-34H,1,7,9-11H2,2-3H3
InChIKey CCBXLSSQLOKUNL-UHFFFAOYSA-N
SMILES O1C2C(C(=O)C3=C1C=4CC(OC4C=C3)C(COC5OC(C(O)C(O)C5O)CO)=C)C=6C(OC2)=CC(OC)=C(OC)C6
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 Amorphigenin O-glucoside (CHEBI:169360) is a glycoside (CHEBI:24400)
Amorphigenin O-glucoside (CHEBI:169360) is a rotenoid (CHEBI:71543)
IUPAC Name
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
2397089 ChemSpider
LMPK12060002 LIPID MAPS
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