| Properties | Image |
MNX_ID | MNXM819785 |
 |
reference | sabiorkM:31240 |
formula | C8H8O7 |
global charge | 0 |
mol weight | 216.145 |
InChIKey | SQUUNJLJJSRAOJ-MWMWYHAWSA-N |
InChI | InChI=1S/C8H8O7/c9-5(8(13)14)2-1-3-7(12)15-4-6(10)11/h1-3,9H,4H2,(H,10,11)(H,13,14)/b3-1+,5-2- |
SMILES | O=C(O)COC(=O)/C=C/C=C(\O)C(=O)O |
MNX internals
InChI (mnx) | InChI=1/C8H8O7/c9-5(8(13)14)2-1-3-7(12)15-4-6(10)11/h1-3,9H,4H2,(H,10,11)(H,13,14)/b3-1+,5-2- |
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SMILES (mnx) | [CH:1](/[CH:2]=[C:5](/[C:8](=[O:13])[OH:14])[OH:9])=[CH:3]\[C:7](=[O:12])[O:15][CH2:4][C:6](=[O:10])[OH:11] |
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