CHEBI:169504 - Sophoraisoflavanone D

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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 Sophoraisoflavanone D
ChEBI ID CHEBI:169504
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H36O6
Net Charge 0
Average Mass 492.612
Monoisotopic Mass 492.25119
InChI InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-11-20-13-22(25(32)14-24(20)31)23-16-36-27-15-26(33)21(12-9-18(3)4)29(34)28(27)30(23)35/h7,9-10,13-15,23,31-34H,6,8,11-12,16H2,1-5H3/b19-10+
InChIKey GQCCUSBZODHQHO-VXLYETTFSA-N
SMILES O1CC(C=2C=C(C/C=C(/CCC=C(C)C)\C)C(O)=CC2O)C(=O)C3=C1C=C(O)C(=C3O)CC=C(C)C
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 Sophoraisoflavanone D (CHEBI:169504) is a isoflavanones (CHEBI:38741)
IUPAC Name
3-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual Xrefs Databases
10283319 ChemSpider
LMPK12050489 LIPID MAPS
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