| Properties | Image |
|---|
| MNX_ID | MNXM38595 |
 |
| reference | lipidmapsM:LMPK12110212 |
| formula | C26H28O14 |
| global charge | 0 |
| mol weight | 564.496 |
| InChIKey | MMDUKUSNQNWVET-PCQUSWMVSA-N |
| InChI | InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13-,17+,18+,21+,22-,23-,25+,26+/m1/s1 |
| SMILES | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=C2[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13-,17+,18+,21+,22-,23-,25+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:9]([OH:28])=[CH:4][CH:2]=[C:8]1[C:12]1=[CH:5][C:10](=[O:29])[C:14]2=[C:19]([OH:33])[C:15]([C@H:26]3[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@@H:18]([OH:32])[C@@H:13]([CH2:6][OH:27])[O:40]3)=[C:20]([OH:34])[C:16]([C@H:25]3[C@H:22]([OH:36])[C@@H:17]([OH:31])[C@H:11]([OH:30])[CH2:7][O:38]3)=[C:24]2[O:39]1 |
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