CHEBI:4357 - Deguelin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Deguelin
ChEBI ID CHEBI:4357
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C23H22O6
C23H22O6
Net Charge 0
Average Mass 394.418
Monoisotopic Mass 394.142
InChI InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
InChIKey ORDAZKGHSNRHTD-UXHICEINSA-N
SMILES COc1cc2OC[C@H]3Oc4c(ccc5OC(C)(C)C=Cc45)C(=O)[C@H]3c2cc1OC
ChEBI Ontology
Outgoing Deguelin (CHEBI:4357) is a isoflavanones (CHEBI:38741)
Synonym Source
Deguelin KEGG COMPOUND
Manual Xrefs Databases
C00002522 KNApSAcK
C10417 KEGG COMPOUND
LSM-3368 LINCS
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Registry Number Type Source
522-17-8 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016