| Properties | Image |
|---|
| MNX_ID | MNXM42396 |
 |
| reference | lipidmapsM:LMPK12110353 |
| formula | C26H28O14 |
| global charge | 0 |
| mol weight | 564.496 |
| InChIKey | SPOURJSTJFHIPF-AZQDDYIYSA-N |
| InChI | InChI=1S/C26H28O14/c27-8-18-21(33)22(34)24(40-25-23(35)20(32)15(31)9-36-25)26(39-18)37-12-5-13(29)19-14(30)7-16(38-17(19)6-12)10-1-3-11(28)4-2-10/h1-7,15,18,20-29,31-35H,8-9H2/t15-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C26H28O14/c27-8-18-21(33)22(34)24(40-25-23(35)20(32)15(31)9-36-25)26(39-18)37-12-5-13(29)19-14(30)7-16(38-17(19)6-12)10-1-3-11(28)4-2-10/h1-7,15,18,20-29,31-35H,8-9H2/t15-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([OH:28])=[CH:4][CH:2]=[C:10]1[C:16]1=[CH:7][C:14](=[O:30])[C:19]2=[C:13]([OH:29])[CH:5]=[C:12]([O:37][C@H:26]3[C@H:24]([O:40][C@H:25]4[C@H:23]([OH:35])[C@@H:20]([OH:32])[C@H:15]([OH:31])[CH2:9][O:36]4)[C@@H:22]([OH:34])[C@H:21]([OH:33])[C@@H:18]([CH2:8][OH:27])[O:39]3)[CH:6]=[C:17]2[O:38]1 |
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