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sclarene
MNXM21700 is deprecated and here replaced by MNXM732555
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM732555 |
 |
| reference | chebi:64281 |
| formula | C20H32 |
| global charge | 0 |
| mol weight | 272.476 |
| InChIKey | KYLKKZSVPLUGCC-CMKODMSKSA-N |
| InChI | InChI=1S/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m0/s1 |
| SMILES | C=CC(=C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C20H32/c1-7-15(2)9-11-17-16(3)10-12-18-19(4,5)13-8-14-20(17,18)6/h7,17-18H,1-3,8-14H2,4-6H3/t17-,18-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:7][C:15](=[CH2:2])[CH2:9][CH2:11][C@H:17]1[C:16](=[CH2:3])[CH2:10][CH2:12][C@H:18]2[C:19]([CH3:4])([CH3:5])[CH2:13][CH2:8][CH2:14][C@:20]12[CH3:6] |
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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:64281
chebi:64281
KYLKKZSVPLUGCC-CMKODMSKSA-N
| sclarene
(+)-sclarene
(4aS,5S,8aS)-1,1,4a-trimethyl-6-methylene-5-(3-methylenepent-4-en-1-yl)decahydronaphthalene
Delta(8,17.13,16.14)-labdatriene
labda-8(17),13(16),14-triene
|