CHEBI:186063 - Kurziflavolactone B

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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 Kurziflavolactone B
ChEBI ID CHEBI:186063
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H30O7
Net Charge 0
Average Mass 526.585
Monoisotopic Mass 526.19915
InChI InChI=1S/C32H30O7/c33-24-17-26(21-10-5-2-6-11-21)38-31-29-22-16-23(12-7-13-28(35)37-27(29)18-25(34)30(24)31)39-32(36,19-22)15-14-20-8-3-1-4-9-20/h1-6,8-11,14-15,18,22-23,26,34,36H,7,12-13,16-17,19H2/b15-14+/t22?,23-,26+,32+/m1/s1
InChIKey OBHPJLGLCYCFQD-YGNGTRCYSA-N
SMILES O1[C@]2(CC(C[C@]1(O)/C=C/C3=CC=CC=C3)C=4C=5O[C@@H](CC(=O)C5C(O)=CC4OC(=O)CCC2)C6=CC=CC=C6)[H]
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 Kurziflavolactone B (CHEBI:186063) is a flavanones (CHEBI:28863)
IUPAC Name
(5S,17R,19R)-9,19-dihydroxy-5-phenyl-19-[(E)-2-phenylethenyl]-4,12,18-trioxatetracyclo[15.3.1.02,11.03,8]henicosa-2(11),3(8),9-triene-7,13-dione
Manual Xref Database
LMPK12140160 LIPID MAPS
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