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1alpha-hydroxyphaseollone
MNXM148611 is deprecated and here replaced by MNXM1106811
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1106811 |
 |
| reference | metacycM:CPD-17459 |
| formula | C20H18O5 |
| global charge | 0 |
| mol weight | 338.359 |
| InChIKey | XBSGPVUHRGTYRA-BOUXLOLZSA-N |
| InChI | InChI=1S/C20H18O5/c1-19(2)7-6-13-15(25-19)4-3-12-14-10-23-16-9-11(21)5-8-20(16,22)18(14)24-17(12)13/h3-9,14,18,22H,10H2,1-2H3/t14-,18+,20+/m0/s1 |
| SMILES | CC1(C)C=CC2=C(C=CC3=C2O[C@@H]2[C@H]3COC3=CC(=O)C=C[C@@]32O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C20H18O5/c1-19(2)7-6-13-15(25-19)4-3-12-14-10-23-16-9-11(21)5-8-20(16,22)18(14)24-17(12)13/h3-9,14,18,22H,10H2,1-2H3/t14-,18+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19]1([CH3:2])[CH:7]=[CH:6][C:13]2=[C:15]([CH:4]=[CH:3][C:12]3=[C:17]2[O:24][C@@H:18]2[C@H:14]3[CH2:10][O:23][C:16]3=[CH:9][C:11](=[O:21])[CH:5]=[CH:8][C@@:20]32[OH:22])[O:25]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 |
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