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(3R,4S)-tetrahydrodaidzein

PropertiesImage
MNX_IDMNXM97362 Image of MNXM97362
referencemetacycM:CPD-14114
formulaC15H14O4
global charge0
mol weight258.273
InChIKeyYOSDNAMJVOLJKI-DZGCQCFKSA-N
InChIInChI=1S/C15H14O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,15-18H,8H2/t13-,15+/m0/s1
SMILESOC1=CC=C([C@@H]2COC3=C(C=CC(O)=C3)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C15H14O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,15-18H,8H2/t13-,15+/m0/s1 Image of MNXM97362
SMILES (mnx)[CH:1]1=[CH:3][C:10]([OH:16])=[CH:4][CH:2]=[C:9]1[C@@H:13]1[CH2:8][O:19][C:14]2=[C:12]([CH:6]=[CH:5][C:11]([OH:17])=[CH:7]2)[C@H:15]1[OH:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-14114
metacycM:CPD-14114
seed.compound:cpd24186
seedM:cpd24186
YOSDNAMJVOLJKI-DZGCQCFKSA-N
(3R,4S)-tetrahydrodaidzein

seedM:M_cpd24186
secondary/obsolete/fantasy identifier