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1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylic acid
MNXM91813 is deprecated and here replaced by MNXM741420
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM741420 |
 |
| reference | chebi:17641 |
| formula | C8H10O4 |
| global charge | 0 |
| mol weight | 170.164 |
| InChIKey | AXRMZRLNCOVFJZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H10O4/c1-5-3-2-4-8(12,6(5)9)7(10)11/h2-4,6,9,12H,1H3,(H,10,11) |
| SMILES | CC1=CC=CC(O)(C(=O)O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C8H10O4/c1-5-3-2-4-8(12,6(5)9)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)/t6?,8? |
 |
| SMILES (mnx) | [CH3:1][C:5]1=[CH:3][CH:2]=[CH:4][C:8]([C:7](=[O:10])[OH:11])([OH:12])[CH:6]1[OH:9] |
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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:17641 chebi:17641 AXRMZRLNCOVFJZ-UHFFFAOYSA-N
| 1,6-dihydroxy-5-methylcyclohexa-2,4-dienecarboxylic acid 1,2-Dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate 1,2-dihydroxy-3-methylcyclohexa-3,5-dienecarboxylate 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate 1,6-dihydroxy-5-methylcyclohexa-2,4-diene-1-carboxylic acid
|
vmhM:dh5mchdc vmhmetabolite:dh5mchdc AXRMZRLNCOVFJZ-UHFFFAOYSA-N
| 1,6-Dihydroxy-5-methylcyclohexa-2,4-dienecarboxylate
|
chebi:11181 chebi:18951 chebi:553 vmhM:M_dh5mchdc
| secondary/obsolete/fantasy identifier
|