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OH-DDVA meta-cleavage product
MNXM165038 is deprecated and here replaced by MNXM1371282
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1371282 |
 |
| reference | metacycM:CPD-11861 |
| formula | C15H9O10 |
| global charge | -3 |
| mol weight | 349.227 |
| InChIKey | VZGTUGLDTXOTPI-KMRISXCNSA-K |
| InChI | InChI=1S/C15H12O10/c1-25-11-5-6(13(19)20)2-8(12(11)18)9(16)3-7(14(21)22)4-10(17)15(23)24/h2-5,17-18H,1H3,(H,19,20)(H,21,22)(H,23,24)/p-3/b7-3+,10-4- |
| SMILES | COC1=C(O)C(C(=O)/C=C(\C=C(/O)C(=O)[O-])C(=O)[O-])=CC(C(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C15H12O10/c1-25-11-5-6(13(19)20)2-8(12(11)18)9(16)3-7(14(21)22)4-10(17)15(23)24/h2-5,17-18H,1H3,(H,19,20)(H,21,22)(H,23,24)/b7-3+,10-4- |
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| SMILES (mnx) | [CH3:1][O:25][C:11]1=[CH:5][C:6]([C:13](=[O:19])[OH:20])=[CH:2][C:8]([C:9](/[CH:3]=[C:7](\[CH:4]=[C:10](\[C:15](=[O:23])[OH:24])[OH:17])[C:14](=[O:21])[OH:22])=[O:16])=[C:12]1[OH:18] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 2 |
| in models (compartimentalized) |
0 |
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Similar chemical compounds in external resources
| Identifier | Description |
metacyc.compound:CPD-11861 metacycM:CPD-11861 VZGTUGLDTXOTPI-KMRISXCNSA-K
| OH-DDVA meta-cleavage product (2E,4E)-4-[2-(5-carboxylato-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxypent-2-enedioate
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