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4'-methoxyisoflavan-2',4,7-triol
MNXM722759 is deprecated and here replaced by MNXM739656
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM739656 |
 |
| reference | chebi:71335 |
| formula | C16H16O5 |
| global charge | 0 |
| mol weight | 288.299 |
| InChIKey | YZBBUYKPTHDZHF-KNVGNIICSA-N |
| InChI | InChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16?/m0/s1 |
| SMILES | COC1=CC(O)=C([C@@H]2COC3=CC(O)=CC=C3C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][O:20][C:10]1=[CH:7][C:14]([OH:18])=[C:11]([C@@H:13]2[CH2:8][O:21][C:15]3=[C:12]([CH:4]=[CH:2][C:9]([OH:17])=[CH:6]3)[CH:16]2[OH:19])[CH:5]=[CH:3]1 |
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| 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
| Identifier | Description |
|---|
CHEBI:71335
chebi:71335
YZBBUYKPTHDZHF-KNVGNIICSA-N
| 4'-methoxyisoflavan-2',4,7-triol
(3R)-3-(2-hydroxy-4-methoxyphenyl)chromane-4,7-diol
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol
DMI
|
CHEBI:72648
chebi:72648
YZBBUYKPTHDZHF-KNVGNIICSA-O
| (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation
7,2'-dihydroxy-4'-methoxy-isoflavanol carbocation intermediate
[(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxonium
|