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(R)-cembrene A
MNXM64352 is deprecated and here replaced by MNXM1364003
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1364003 |
 |
| reference | chebi:82800 |
| formula | C20H32 |
| global charge | 0 |
| mol weight | 272.476 |
| InChIKey | VWSPQDDPRITBAM-KPGNMOGWSA-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/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1 |
| SMILES | C=C(C)[C@H]1C/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/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:16]([CH3:2])[C@H: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 |
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| 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:82800 chebi:82800 VWSPQDDPRITBAM-KPGNMOGWSA-N
| (R)-cembrene A (-)-Cembrene A (-)-R-cembrene A (1E,5E,9E,12R)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene (R)-(-)-Cembrene A 1,5,9-Trimethyl-12-(1-methylethenyl)-1,5,9-cyclotetradecatriene Cembrene A Neocembrene
|
kegg.compound:C09140 keggC:C09140 VWSPQDDPRITBAM-KPGNMOGWSA-N
| Neocembrene (1E,5E,9E,12R)-1,5,9-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-1,5,9-triene (R)-Cembrene A Cembrene A
|
seed.compound:cpd06036 seedM:cpd06036 VWSPQDDPRITBAM-KPGNMOGWSA-N
| Neocembrene Cembrene A
|
chebi:7501 keggC:M_C09140 seedM:M_cpd06036
| secondary/obsolete/fantasy identifier
|