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(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone

PropertiesImage
MNX_IDMNXM2918 Image of MNXM2918
referencechebi:85906
formulaC16H14O5
global charge0
mol weight286.283
InChIKeyPKQQPELXMZRYJY-GDBMZVCRSA-N
InChIInChI=1S/C16H14O5/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)21-16(14)19/h2-8,14,16-17,19H,1H3/t14-,16-/m1/s1
SMILESCOC1=CC=C([C@@H]2C(=O)C3=CC=C(O)C=C3O[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C16H14O5/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)21-16(14)19/h2-8,14,16-17,19H,1H3/t14-,16-/m1/s1 Image of MNXM2918
SMILES (mnx)[CH3:1][O:20][C:11]1=[CH:6][CH:3]=[C:9]([C@@H:14]2[C:15](=[O:18])[C:12]3=[C:13]([CH:8]=[C:10]([OH:17])[CH:4]=[CH:7]3)[O:21][C@H:16]2[OH:19])[CH:2]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85906
chebi:85906
PKQQPELXMZRYJY-GDBMZVCRSA-N 		(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
(2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one

metacyc.compound:CPD-3502
metacycM:CPD-3502
PKQQPELXMZRYJY-GDBMZVCRSA-N 		(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
2,7-dihydroxy-4'-methoxyisoflavanone

sabiork.compound:25492
sabiorkM:25492
kegg.compound:C16190
keggC:C16190
PKQQPELXMZRYJY-UHFFFAOYSA-N 		2,7-Dihydroxy-4'-methoxyisoflavanone

seed.compound:cpd14909
seedM:cpd14909
PKQQPELXMZRYJY-GDBMZVCRSA-N 		2,7-Dihydroxy-4'-methoxyisoflavanone
(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
2,7-dihydroxy-4'-methoxyisoflavanone

vmhM:dhmoifvn
vmhmetabolite:dhmoifvn
PKQQPELXMZRYJY-UHFFFAOYSA-N 		2,7-Dihydroxy-4-methoxyisoflavanone
hmdb:HMDB0304048
PKQQPELXMZRYJY-UHFFFAOYSA-N 		2,7-dihydroxy-4'-methoxyisoflavanone
2,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
2,7-dihydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

CHEBI:62734
chebi:62734
PKQQPELXMZRYJY-UHFFFAOYSA-N 		2,7-dihydroxy-4'-methoxyisoflavanone
2,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one

keggC:M_C16190
seedM:M_cpd14909
vmhM:M_dhmoifvn 		secondary/obsolete/fantasy identifier