| Properties | Image |
|---|
| MNX_ID | MNXM22816 |
 |
| reference | lipidmapsM:LMPK12010410 |
| formula | C30H35O19 |
| global charge | 1 |
| mol weight | 699.591 |
| InChIKey | JGLPYOOPDJNLDC-BTXJZROQSA-O |
| InChI | InChI=1S/C30H34O19/c1-42-15-3-10(4-16(43-2)20(15)33)27-17(47-29-25(38)23(36)21(34)18(8-31)48-29)7-12-13(45-27)5-11(32)6-14(12)46-28-26(39)24(37)22(35)19(49-28)9-44-30(40)41/h3-7,18-19,21-26,28-29,31,34-39H,8-9H2,1-2H3,(H2-,32,33,40,41)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1 |
| SMILES | COC1=CC(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O[C@@H]4O[C@H](COC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=CC(OC)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C30H34O19/c1-42-15-3-10(4-16(43-2)20(15)33)27-17(47-29-25(38)23(36)21(34)18(8-31)48-29)7-12-13(45-27)5-11(32)6-14(12)46-28-26(39)24(37)22(35)19(49-28)9-44-30(40)41/h3-7,18-19,21-26,28-29,31,34-39H,8-9H2,1-2H3,(H2-,32,33,40,41)/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:42][C:15]1=[C:20]([OH:33])[C:16]([O:43][CH3:2])=[CH:4][C:10]([C:27]2=[O+:45][C:13]3=[C:12]([CH:7]=[C:17]2[O:47][C@H:29]2[C@H:25]([OH:38])[C@@H:23]([OH:36])[C@H:21]([OH:34])[C@@H:18]([CH2:8][OH:31])[O:48]2)[C:14]([O:46][C@H:28]2[C@H:26]([OH:39])[C@@H:24]([OH:37])[C@H:22]([OH:35])[C@@H:19]([CH2:9][O:44][C:30](=[O:40])[O-:41])[O:49]2)=[CH:6][C:11]([OH:32])=[CH:5]3)=[CH:3]1 |
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