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11-hydroxyvittatine
MNXM33140 is deprecated and here replaced by MNXM1371558
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1371558 |
 |
| reference | metacycM:CPD-19447 |
| formula | C16H17NO4 |
| global charge | 0 |
| mol weight | 287.315 |
| InChIKey | KWAOMPWGIIXDPH-NWLYGAKOSA-N |
| InChI | InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14+,15-,16+/m1/s1 |
| SMILES | O[C@@H]1C=C[C@@]23C4=C(C=C5OCOC5=C4)CN(C[C@H]2O)[C@H]3C1 |
MNX internals
| InChI (mnx) | InChI=1/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14+,15-,16+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C@@:16]23[C:11]4=[CH:5][C:13]5=[C:12]([CH:3]=[C:9]4[CH2:6][N:17]([CH2:7][C@H:15]2[OH:19])[C@H:14]3[CH2:4][C@@H:10]1[OH:18])[O:20][CH2:8][O:21]5 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|