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5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl hexopyranoside
MNXM527532 is deprecated and here replaced by MNXM1368710
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368710 |
 |
| reference | chebi:139461 |
| formula | C22H22O12 |
| global charge | 0 |
| mol weight | 478.406 |
| InChIKey | CQLRUIIRRZYHHS-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3 |
| SMILES | COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14?,16?,18?,19?,22? |
 |
| SMILES (mnx) | [CH3:1][O:31][C:12]1=[C:10]([OH:25])[CH:3]=[CH:2][C:8]([C:20]2=[C:21]([O:34][CH:22]3[CH:19]([OH:30])[CH:18]([OH:29])[CH:16]([OH:27])[CH:14]([CH2:7][OH:23])[O:33]3)[C:17](=[O:28])[C:15]3=[C:11]([OH:26])[CH:5]=[C:9]([OH:24])[CH:6]=[C:13]3[O:32]2)=[CH:4]1 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:139461
chebi:139461
CQLRUIIRRZYHHS-UHFFFAOYSA-N
| 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl hexopyranoside
|