CHEBI:190025 - Kuwanon L

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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 Kuwanon L
ChEBI ID CHEBI:190025
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H30O11
Net Charge 0
Average Mass 626.614
Monoisotopic Mass 626.17881
InChI InChI=1S/C35H30O11/c1-15-8-22(19-4-2-16(36)10-25(19)40)31(34(44)20-5-3-17(37)11-26(20)41)23(9-15)32-24(39)7-6-21(35(32)45)29-14-28(43)33-27(42)12-18(38)13-30(33)46-29/h2-7,9-13,22-23,29,31,36-42,45H,8,14H2,1H3/t22-,23-,29-,31-/m0/s1
InChIKey ZEZOBFSLMMTYFF-HQSFFLIMSA-N
SMILES O=C([C@H]1[C@@](CC(=C[C@@]1(C=2C(O)=C([C@]3(OC=4C(C(=O)C3)=C(O)C=C(O)C4)[H])C=CC2O)[H])C)(C5=C(O)C=C(O)C=C5)[H])C6=C(O)C=C(O)C=C6
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing Kuwanon L (CHEBI:190025) is a flavanones (CHEBI:28863)
IUPAC Name
(2S)-2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Manual Xref Database
160728 ChemSpider
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Registry Number Type Source
88524-65-6 CAS Registry Number ChemIDplus