| Properties | Image |
|---|
| MNX_ID | MNXM165070 |
 |
| reference | chebi:156237 |
| formula | C20H32 |
| global charge | 0 |
| mol weight | 272.476 |
| InChIKey | WFXPJSKWJXCYJM-TWRRNRRFSA-N |
| InChI | InChI=1S/C20H32/c1-13-6-8-16-17-18(3,4)10-11-19(17,5)12-20(16)14(2)7-9-15(13)20/h14,16-17H,6-12H2,1-5H3/t14-,16-,17+,19+,20+/m0/s1 |
| SMILES | CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H32/c1-13-6-8-16-17-18(3,4)10-11-19(17,5)12-20(16)14(2)7-9-15(13)20/h14,16-17H,6-12H2,1-5H3/t14-,16-,17+,19+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[C:15]2[CH2:9][CH2:7][C@H:14]([CH3:2])[C@:20]23[CH2:12][C@@:19]2([CH3:5])[CH2:11][CH2:10][C:18]([CH3:3])([CH3:4])[C@H:17]2[C@@H:16]3[CH2:8][CH2:6]1 |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:156237
chebi:156237
WFXPJSKWJXCYJM-TWRRNRRFSA-N
| phomopsene
(1S,6aS,6bR,9aR,10aS)-1,4,7,7,9a-pentamethyl-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene
|
kegg.compound:C22896
keggC:C22896
WFXPJSKWJXCYJM-TWRRNRRFSA-N
| Phomopsene
(1S,6aS,6bR,9aR,10aS)-1,4,7,7,9a-Pentamethyl-1,2,3,5,6,6a,6b,7,8,9,9a,10-dodecahydrodicyclopenta[a,d]indene
|
metacyc.compound:CPD-18470
metacycM:CPD-18470
seed.compound:cpd34086
seedM:cpd34086
WFXPJSKWJXCYJM-TWRRNRRFSA-N
| phomopsene
|
keggC:M_C22896
seedM:M_cpd34086
| secondary/obsolete/fantasy identifier
|