| Properties | Image |
|---|
| MNX_ID | MNXM26344 |
 |
| reference | lipidmapsM:LMPK12130030 |
| formula | C27H30O14 |
| global charge | 0 |
| mol weight | 578.523 |
| InChIKey | BHJZUXDFACAILR-XQCQZFFBSA-N |
| InChI | InChI=1S/C27H30O14/c1-10-19(31)22(34)24(36)26(37-10)41-25-23(35)21(33)17(9-28)40-27(25)39-15-8-13(30)7-14-18(15)20(32)16(38-14)6-11-2-4-12(29)5-3-11/h2-8,10,17,19,21-31,33-36H,9H2,1H3/t10-,17+,19-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](OC3=CC(O)=CC4=C3C(=O)C(=CC3=CC=C(O)C=C3)O4)O[C@H](CO)[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(31)22(34)24(36)26(37-10)41-25-23(35)21(33)17(9-28)40-27(25)39-15-8-13(30)7-14-18(15)20(32)16(38-14)6-11-2-4-12(29)5-3-11/h2-8,10,17,19,21-31,33-36H,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:31])[C@@H:22]([OH:34])[C@@H:24]([OH:36])[C@H:26]([O:41][C@@H:25]2[C@@H:23]([OH:35])[C@H:21]([OH:33])[C@@H:17]([CH2:9][OH:28])[O:40][C@H:27]2[O:39][C:15]2=[CH:8][C:13]([OH:30])=[CH:7][C:14]3=[C:18]2[C:20](=[O:32])[C:16](=[CH:6][C:11]2=[CH:3][CH:5]=[C:12]([OH:29])[CH:4]=[CH:2]2)[O:38]3)[O:37]1 |
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