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prebassianin A
MNXM148464 is deprecated and here replaced by MNXM1368242
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368242 |
 |
| reference | metacycM:CPD-17132 |
| formula | C23H26NO4 |
| global charge | -1 |
| mol weight | 380.464 |
| InChIKey | HXKIGJBVAYEOHS-ZDNNFFFZSA-M |
| InChI | InChI=1S/C23H27NO4/c1-4-15(2)13-16(3)7-5-6-8-20(26)21-22(27)19(24-23(21)28)14-17-9-11-18(25)12-10-17/h5-13,15,19,25,27H,4,14H2,1-3H3,(H,24,28)/p-1/b7-5+,8-6+,16-13+ |
| SMILES | CCC(C)/C=C(C)/C=C/C=C/C(=O)C1=C([O-])C(CC2=CC=C(O)C=C2)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C23H27NO4/c1-4-15(2)13-16(3)7-5-6-8-20(26)21-22(27)19(24-23(21)28)14-17-9-11-18(25)12-10-17/h5-13,15,19,25,27H,4,14H2,1-3H3,(H,24,28)/b7-5+,8-6+,16-13+/t15?,19? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH:15]([CH3:2])/[CH:13]=[C:16]([CH3:3])/[CH:7]=[CH:5]/[CH:6]=[CH:8]/[C:20]([C:21]1=[C:22]([OH:27])[CH:19]([CH2:14][C:17]2=[CH:10][CH:12]=[C:18]([OH:25])[CH:11]=[CH:9]2)[N:24]=[C:23]1[OH:28])=[O:26] |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|