CHEBI:109 - (−)-phaseollinisoflavan

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ChEBI Name (−)-phaseollinisoflavan
ChEBI ID CHEBI:109
ChEBI ASCII Name (-)-phaseollinisoflavan
Definition A member of the class of hydroxyisoflavans that is (3R)-3,4-dihydro-2H,2'H-3,6'-bichromene substituted by two methyl groups at positions 2' and 2' and hydroxy groups at positions 5' and 7 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H20O4
Net Charge 0
Average Mass 324.37040
Monoisotopic Mass 324.13616
InChI InChI=1S/C20H20O4/c1-20(2)8-7-16-17(24-20)6-5-15(19(16)22)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
InChIKey UUJBHSNXZMGYBT-ZDUSSCGKSA-N
SMILES CC1(C)Oc2ccc([C@@H]3COc4cc(O)ccc4C3)c(O)c2C=C1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (−)-phaseollinisoflavan (CHEBI:109) has role plant metabolite (CHEBI:76924)
(−)-phaseollinisoflavan (CHEBI:109) is a hydroxyisoflavans (CHEBI:76250)
Incoming 2'-O-methylphaseollinisoflavan (CHEBI:85117) has functional parent (−)-phaseollinisoflavan (CHEBI:109)
IUPAC Name
(3R)-2',2'-dimethyl-3,4-dihydro-2H,2'H-3,6'-bichromene-5',7-diol
Manual Xrefs Databases
C00002560 KNApSAcK
C10515 KEGG COMPOUND
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Registry Numbers Types Sources
40323-57-7 CAS Registry Number KEGG COMPOUND
7939399 Reaxys Registry Number Reaxys
Last Modified
07 July 2015