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d-Tocotrienol
MNXM48991 is deprecated and here replaced by MNXM1369785
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1369785 |
 |
| reference | chebi:166698 |
| formula | C27H40O2 |
| global charge | 0 |
| mol weight | 396.615 |
| InChIKey | ODADKLYLWWCHNB-QRCIITMISA-N |
| InChI | InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+ |
| SMILES | CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCC2=C(O1)C(C)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27? |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:10][CH2:7][CH2:11]/[C:21]([CH3:3])=[CH:12]/[CH2:8][CH2:13]/[C:22]([CH3:4])=[CH:14]/[CH2:9][CH2:16][C:27]1([CH3:6])[CH2:17][CH2:15][C:24]2=[CH:19][C:25]([OH:28])=[CH:18][C:23]([CH3:5])=[C:26]2[O:29]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:166698
chebi:166698
ODADKLYLWWCHNB-QRCIITMISA-N
| d-Tocotrienol
2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
|