| Properties | Image |
| MNX_ID | MNXM38801 |
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| reference | lipidmapsM:LMPK12111198 |
| formula | C22H22O12 |
| global charge | 0 |
| mol weight | 478.406 |
| InChIKey | WLDSVYQTJXGHOT-LEQQURNDSA-N |
| InChI | InChI=1S/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17+,19+,20-,22+/m1/s1 |
| SMILES | COC1=CC2=C(C(=O)C=C(C3=CC(O)=C(O)C=C3)O2)C(O)=C1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O12/c1-31-14-6-13-16(11(26)5-12(32-13)8-2-3-9(24)10(25)4-8)18(28)21(14)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17+,19+,20-,22+/m1/s1 |
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| SMILES (mnx) | [CH3:1][O:31][C:14]1=[CH:6][C:13]2=[C:16]([C:11](=[O:26])[CH:5]=[C:12]([C:8]3=[CH:4][C:10]([OH:25])=[C:9]([OH:24])[CH:3]=[CH:2]3)[O:32]2)[C:18]([OH:28])=[C:21]1[O:34][C@H:22]1[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@@H:17]([OH:27])[C@@H:15]([CH2:7][OH:23])[O:33]1 |
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