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10,2'-dihydroxy-4'-methoxy-isoflav-8-ene-7-one

PropertiesImage
MNX_IDMNXM148600 Image of MNXM148600
referencemetacycM:CPD-17503
formulaC16H18O5
global charge0
mol weight290.315
InChIKeyXMRJIGCECGGEGX-VQVVDHBBSA-N
InChIInChI=1S/C16H18O5/c1-20-12-2-3-13(14(18)7-12)10-8-16(19)5-4-11(17)6-15(16)21-9-10/h2-3,6-7,10,18-19H,4-5,8-9H2,1H3/t10-,16?/m0/s1
SMILESCOC1=CC=C([C@@H]2COC3=CC(=O)CCC3(O)C2)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C16H18O5/c1-20-12-2-3-13(14(18)7-12)10-8-16(19)5-4-11(17)6-15(16)21-9-10/h2-3,6-7,10,18-19H,4-5,8-9H2,1H3/t10-,16?/m0/s1 Image of MNXM148600
SMILES (mnx)[CH3:1][O:20][C:12]1=[CH:7][C:14]([OH:18])=[C:13]([C@H:10]2[CH2:8][C:16]3([OH:19])[CH2:5][CH2:4][C:11](=[O:17])[CH:6]=[C:15]3[O:21][CH2:9]2)[CH:3]=[CH:2]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-17503
metacycM:CPD-17503
seed.compound:cpd32890
seedM:cpd32890
XMRJIGCECGGEGX-VQVVDHBBSA-N
10,2'-dihydroxy-4'-methoxy-isoflav-8-ene-7-one

seedM:M_cpd32890
secondary/obsolete/fantasy identifier