| Properties | Image |
|---|
| MNX_ID | MNXM38476 |
 |
| reference | lipidmapsM:LMPK12113300 |
| formula | C27H30O17 |
| global charge | 0 |
| mol weight | 626.52 |
| InChIKey | QYGOLDXOFKERFE-FBDROOCVSA-N |
| InChI | InChI=1S/C27H30O17/c1-7-12(29)16(33)21(38)26(41-7)40-6-10-13(30)17(34)22(39)27(42-10)44-25-15(32)11-14(31)18(35)19(36)20(37)24(11)43-23(25)8-2-4-9(28)5-3-8/h2-5,7,10,12-13,16-17,21-22,26-31,33-39H,6H2,1H3/t7-,10+,12-,13+,16+,17-,21+,22+,26+,27-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(C4=CC=C(O)C=C4)OC4=C(C3=O)C(O)=C(O)C(O)=C4O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O17/c1-7-12(29)16(33)21(38)26(41-7)40-6-10-13(30)17(34)22(39)27(42-10)44-25-15(32)11-14(31)18(35)19(36)20(37)24(11)43-23(25)8-2-4-9(28)5-3-8/h2-5,7,10,12-13,16-17,21-22,26-31,33-39H,6H2,1H3/t7-,10+,12-,13+,16+,17-,21+,22+,26+,27-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C@H:7]1[C@H:12]([OH:29])[C@@H:16]([OH:33])[C@@H:21]([OH:38])[C@H:26]([O:40][CH2:6][C@@H:10]2[C@@H:13]([OH:30])[C@H:17]([OH:34])[C@@H:22]([OH:39])[C@H:27]([O:44][C:25]3=[C:23]([C:8]4=[CH:3][CH:5]=[C:9]([OH:28])[CH:4]=[CH:2]4)[O:43][C:24]4=[C:20]([OH:37])[C:19]([OH:36])=[C:18]([OH:35])[C:14]([OH:31])=[C:11]4[C:15]3=[O:32])[O:42]2)[O:41]1 |
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