| Properties | Image |
|---|
| MNX_ID | MNXM28054 |
 |
| reference | lipidmapsM:LMPK12130028 |
| formula | C27H30O14 |
| global charge | 0 |
| mol weight | 578.523 |
| InChIKey | OEOFNNDYYLIDDI-TWTNJGHDSA-N |
| InChI | InChI=1S/C27H30O14/c1-10-19(30)22(33)24(35)26(38-10)37-9-17-21(32)23(34)25(36)27(41-17)40-15-8-13(29)7-14-18(15)20(31)16(39-14)6-11-2-4-12(28)5-3-11/h2-8,10,17,19,21-30,32-36H,9H2,1H3/b16-6+/t10-,17+,19-,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O)=CC4=C3C(=O)/C(=C\C3=CC=C(O)C=C3)O4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O14/c1-10-19(30)22(33)24(35)26(38-10)37-9-17-21(32)23(34)25(36)27(41-17)40-15-8-13(29)7-14-18(15)20(31)16(39-14)6-11-2-4-12(28)5-3-11/h2-8,10,17,19,21-30,32-36H,9H2,1H3/b16-6+/t10-,17+,19-,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:10]1[C@H:19]([OH:30])[C@@H:22]([OH:33])[C@@H:24]([OH:35])[C@H:26]([O:37][CH2:9][C@@H:17]2[C@@H:21]([OH:32])[C@H:23]([OH:34])[C@@H:25]([OH:36])[C@H:27]([O:40][C:15]3=[CH:8][C:13]([OH:29])=[CH:7][C:14]4=[C:18]3[C:20](=[O:31])/[C:16](=[CH:6]\[C:11]3=[CH:3][CH:5]=[C:12]([OH:28])[CH:4]=[CH:2]3)[O:39]4)[O:41]2)[O:38]1 |
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