| Properties | Image |
|---|
| MNX_ID | MNXM25340 |
 |
| reference | lipidmapsM:LMPK12140252 |
| formula | C26H30O14 |
| global charge | 0 |
| mol weight | 566.512 |
| InChIKey | ZGHVWJMNRMPONB-JVZUOOBWSA-N |
| InChI | InChI=1S/C26H30O14/c27-8-18-24(40-25-22(34)20(32)15(31)9-36-25)21(33)23(35)26(39-18)37-12-3-1-10(2-4-12)16-7-14(30)19-13(29)5-11(28)6-17(19)38-16/h1-6,15-16,18,20-29,31-35H,7-9H2/t15-,16?,18-,20+,21-,22-,23-,24-,25+,26-/m1/s1 |
| SMILES | O=C1CC(C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)C=C2)OC2=C1C(O)=CC(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C26H30O14/c27-8-18-24(40-25-22(34)20(32)15(31)9-36-25)21(33)23(35)26(39-18)37-12-3-1-10(2-4-12)16-7-14(30)19-13(29)5-11(28)6-17(19)38-16/h1-6,15-16,18,20-29,31-35H,7-9H2/t15-,16?,18-,20+,21-,22-,23-,24-,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([O:37][C@H:26]2[C@H:23]([OH:35])[C@@H:21]([OH:33])[C@H:24]([O:40][C@H:25]3[C@H:22]([OH:34])[C@@H:20]([OH:32])[C@H:15]([OH:31])[CH2:9][O:36]3)[C@@H:18]([CH2:8][OH:27])[O:39]2)=[CH:4][CH:2]=[C:10]1[CH:16]1[CH2:7][C:14](=[O:30])[C:19]2=[C:13]([OH:29])[CH:5]=[C:11]([OH:28])[CH:6]=[C:17]2[O:38]1 |
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