| Properties | Image |
|---|
| MNX_ID | MNXM58403 |
 |
| reference | lipidmapsM:LMPK12110224 |
| formula | C27H30O14 |
| global charge | 0 |
| mol weight | 578.523 |
| InChIKey | TWBWSPDILHVKEV-RSPRXDBDSA-N |
| InChI | InChI=1S/C27H30O14/c1-8-17(31)21(35)23(37)26(39-8)15-19(33)14-11(30)6-12(9-2-4-10(29)5-3-9)40-25(14)16(20(15)34)27-24(38)22(36)18(32)13(7-28)41-27/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](C2=C(O)C3=C(OC(C4=CC=C(O)C=C4)=CC3=O)C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O14/c1-8-17(31)21(35)23(37)26(39-8)15-19(33)14-11(30)6-12(9-2-4-10(29)5-3-9)40-25(14)16(20(15)34)27-24(38)22(36)18(32)13(7-28)41-27/h2-6,8,13,17-18,21-24,26-29,31-38H,7H2,1H3/t8-,13+,17-,18+,21+,22-,23+,24+,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:17]([OH:31])[C@@H:21]([OH:35])[C@@H:23]([OH:37])[C@H:26]([C:15]2=[C:20]([OH:34])[C:16]([C@H:27]3[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:18]([OH:32])[C@@H:13]([CH2:7][OH:28])[O:41]3)=[C:25]3[C:14](=[C:19]2[OH:33])[C:11](=[O:30])[CH:6]=[C:12]([C:9]2=[CH:3][CH:5]=[C:10]([OH:29])[CH:4]=[CH:2]2)[O:40]3)[O:39]1 |
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