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3,7-dimethylocta-2,6-dienoate
MNXM5766 is deprecated and here replaced by MNXM1370331
!!! Alternative mappings exist !!!
| Properties | Image |
MNX_ID | MNXM1370331 |
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reference | chebi:142930 |
formula | C10H15O2 |
global charge | -1 |
mol weight | 167.228 |
InChIKey | ZHYZQXUYZJNEHD-UHFFFAOYSA-M |
InChI | InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/p-1 |
SMILES | CC(C)=CCCC(C)=CC(=O)[O-] |
MNX internals
InChI (mnx) | InChI=1/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7? |
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SMILES (mnx) | [CH3:1][C:8]([CH3:2])=[CH:5][CH2:4][CH2:6][C:9]([CH3:3])=[CH:7][C:10](=[O:11])[OH:12] |
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Parent-child relations graph |
Occurences in reactions | #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
1 |
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Similar chemical compounds in external resources
Identifier | Description |
CHEBI:142930 chebi:142930 ZHYZQXUYZJNEHD-UHFFFAOYSA-M
| 3,7-dimethylocta-2,6-dienoate 3,7-dimethylocta-2,6-dienoate(1-)
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hmdb:HMDB0036103 ZHYZQXUYZJNEHD-UHFFFAOYSA-N
| Geranic acid 3,7-Dimethyl-2,6-octadienoic acid 3,7-Dimethylocta-2,6-dienoate 3,7-dimethylocta-2,6-dienoic acid Decaprenoic acid Geranate Geranic acid (6ci) Geranoic acid trans-Geranate
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hmdb:HMDB0304369 ZHYZQXUYZJNEHD-UHFFFAOYSA-M
| geranate 3,7-Dimethylocta-2,6-dienoic acid 3,7-dimethylocta-2,6-dienoate Geranic acid
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hmdb:HMDB36103
| secondary/obsolete/fantasy identifier
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