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alpha-Ylangene
MNXM166993 is deprecated and here replaced by MNXM731282
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM731282 |
 |
| reference | hmdb:HMDB0301856 |
| formula | C15H24 |
| global charge | 0 |
| mol weight | 204.357 |
| InChIKey | VLXDPFLIRFYIME-ZVQPBLDFSA-N |
| InChI | InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14?,15-/m0/s1 |
| SMILES | CC1=CC[C@@H]2[C@@H]3C1[C@@]2(C)CC[C@H]3C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14?,15-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:9]([CH3:2])[C@@H:11]1[CH2:7][CH2:8][C@@:15]2([CH3:4])[C@@H:12]3[CH2:6][CH:5]=[C:10]([CH3:3])[CH:14]2[C@H:13]13 |
|
| 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 |
|---|
hmdb:HMDB0301856
VLXDPFLIRFYIME-ZVQPBLDFSA-N
| alpha-Ylangene
(1S,6R,7R,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,⁷]dec-3-ene
(1S,6R,7R,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0²,⁷]dec-3-ene
a-Ylangene
alpha-ylangene
|
CHEBI:10341
chebi:10341
kegg.compound:C09749
keggC:C09749
VLXDPFLIRFYIME-MWHZVNNOSA-N
| alpha-Ylangene
|
keggC:M_C09749
| secondary/obsolete/fantasy identifier
|