| Properties | Image |
|---|
| MNX_ID | MNXM58700 |
 |
| reference | lipidmapsM:LMPK12111806 |
| formula | C30H32O19 |
| global charge | 0 |
| mol weight | 696.567 |
| InChIKey | PSZBCORWZMVATQ-DDGSWIOPSA-N |
| InChI | InChI=1S/C30H32O19/c31-8-15-20(37)23(40)25(42)29(47-15)45-12-5-13(33)19-14(6-12)46-27(10-1-3-11(32)4-2-10)28(22(19)39)49-30-26(43)24(41)21(38)16(48-30)9-44-18(36)7-17(34)35/h1-6,15-16,20-21,23-26,29-33,37-38,40-43H,7-9H2,(H,34,35)/t15-,16-,20-,21-,23+,24+,25-,26-,29-,30+/m1/s1 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C3)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H32O19/c31-8-15-20(37)23(40)25(42)29(47-15)45-12-5-13(33)19-14(6-12)46-27(10-1-3-11(32)4-2-10)28(22(19)39)49-30-26(43)24(41)21(38)16(48-30)9-44-18(36)7-17(34)35/h1-6,15-16,20-21,23-26,29-33,37-38,40-43H,7-9H2,(H,34,35)/t15-,16-,20-,21-,23+,24+,25-,26-,29-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:32])=[CH:4][CH:2]=[C:10]1[C:27]1=[C:28]([O:49][C@H:30]2[C@H:26]([OH:43])[C@@H:24]([OH:41])[C@H:21]([OH:38])[C@@H:16]([CH2:9][O:44][C:18]([CH2:7][C:17](=[O:34])[OH:35])=[O:36])[O:48]2)[C:22](=[O:39])[C:19]2=[C:13]([OH:33])[CH:5]=[C:12]([O:45][C@H:29]3[C@H:25]([OH:42])[C@@H:23]([OH:40])[C@H:20]([OH:37])[C@@H:15]([CH2:8][OH:31])[O:47]3)[CH:6]=[C:14]2[O:46]1 |
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