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cembrene C
MNXM146371 is deprecated and here replaced by MNXM728814
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM728814 |
 |
| reference | chebi:82798 |
| formula | C20H32 |
| global charge | 0 |
| mol weight | 272.476 |
| InChIKey | SHVZFTWRFOQOFU-GDVLXBNMSA-N |
| InChI | InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+ |
| SMILES | CC(C)=C1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+ |
 |
| SMILES (mnx) | [CH3:1][C:16]([CH3:2])=[C:20]1[CH2:14]/[CH:12]=[C:18](\[CH3:4])[CH2:10][CH2:6]/[CH:8]=[C:17](\[CH3:3])[CH2:9][CH2:7]/[CH:11]=[C:19](\[CH3:5])[CH2:13][CH2:15]1 |
|
| 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 |
|---|
CHEBI:82798
chebi:82798
SHVZFTWRFOQOFU-GDVLXBNMSA-N
| cembrene C
(1E,5E,9E)-1,5,9-trimethyl-12-(propan-2-ylidene)cyclotetradeca-1,5,9-triene
(1E,5E,9E)-12-isopropylidene-1,5,9-trimethylcyclotetradeca-1,5,9-triene
|
kegg.compound:C20922
keggC:C20922
SHVZFTWRFOQOFU-GDVLXBNMSA-N
| Cembrene C
(1E,5E,9E)-1,5,9-Trimethyl-12-(propan-2-ylidene)cyclotetradeca-1,5,9-triene
|
keggC:M_C20922
| secondary/obsolete/fantasy identifier
|