| Properties | Image |
| MNX_ID | MNXM38757 |
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| reference | lipidmapsM:LMPK12111256 |
| formula | C16H12O10S |
| global charge | 0 |
| mol weight | 396.329 |
| InChIKey | CWSOZWHESKRJLP-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-8(11)17)10-5-9(18)14-12(25-10)6-13(15(19)16(14)20)26-27(21,22)23/h2-6,17,19-20H,1H3,(H,21,22,23) |
| SMILES | COC1=C(O)C=CC(C2=CC(=O)C3=C(C=C(OS(=O)(=O)O)C(O)=C3O)O2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C16H12O10S/c1-24-11-4-7(2-3-8(11)17)10-5-9(18)14-12(25-10)6-13(15(19)16(14)20)26-27(21,22)23/h2-6,17,19-20H,1H3,(H,21,22,23) |
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| SMILES (mnx) | [CH3:1][O:24][C:11]1=[C:8]([OH:17])[CH:3]=[CH:2][C:7]([C:10]2=[CH:5][C:9](=[O:18])[C:14]3=[C:12]([CH:6]=[C:13]([O:26][S:27]([OH:21])(=[O:22])=[O:23])[C:15]([OH:19])=[C:16]3[OH:20])[O:25]2)=[CH:4]1 |
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