Feedback
tenellin
MNXM149204 is deprecated and here replaced by MNXM1368294
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368294 |
 |
| reference | metacycM:CPD-17122 |
| formula | C21H22NO5 |
| global charge | -1 |
| mol weight | 368.409 |
| InChIKey | SCCTUCNNQMSPKE-QDPFKYGGSA-N |
| InChI | InChI=1S/C21H22NO5/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22(27)21(19)26)15-6-8-16(23)9-7-15/h5-13,23,25H,4H2,1-3H3/q-1/b10-5+,14-11+ |
| SMILES | CCC(C)/C=C(C)/C=C/C(=O)C1=C(O)C(C2=CC=C(O)C=C2)=CN([O-])C1=O |
MNX internals
| InChI (mnx) | InChI=1/C21H22NO5/c1-4-13(2)11-14(3)5-10-18(24)19-20(25)17(12-22(27)21(19)26)15-6-8-16(23)9-7-15/h5-13,23,25H,4H2,1-3H3/q-1/b10-5+,14-11+/t13? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH:13]([CH3:2])/[CH:11]=[C:14]([CH3:3])/[CH:5]=[CH:10]/[C:18]([C:19]1=[C:20]([OH:25])[C:17]([C:15]2=[CH:7][CH:9]=[C:16]([OH:23])[CH:8]=[CH:6]2)=[CH:12][N:22]([O-:27])[C:21]1=[O:26])=[O:24] |
|
| 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 |
|---|
metacyc.compound:CPD-17122
metacycM:CPD-17122
SCCTUCNNQMSPKE-QDPFKYGGSA-N
| tenellin
3-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-1,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one
|