| Properties | Image |
|---|
| MNX_ID | MNXM38748 |
 |
| reference | lipidmapsM:LMPK12112828 |
| formula | C27H30O16 |
| global charge | 0 |
| mol weight | 610.521 |
| InChIKey | WUNMXDNRDZOIKF-BOPSVZKWSA-N |
| InChI | InChI=1S/C27H30O16/c1-8-15(29)20(34)23(37)26(40-8)39-7-13-17(31)21(35)24(38)27(43-13)42-12-6-11-14(18(32)16(12)30)19(33)22(36)25(41-11)9-2-4-10(28)5-3-9/h2-6,8,13,15,17,20-21,23-24,26-32,34-38H,7H2,1H3/t8-,13+,15-,17+,20+,21-,23+,24+,26+,27+/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)C(O)=C(C5=CC=C(O)C=C5)O4)C(O)=C3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O16/c1-8-15(29)20(34)23(37)26(40-8)39-7-13-17(31)21(35)24(38)27(43-13)42-12-6-11-14(18(32)16(12)30)19(33)22(36)25(41-11)9-2-4-10(28)5-3-9/h2-6,8,13,15,17,20-21,23-24,26-32,34-38H,7H2,1H3/t8-,13+,15-,17+,20+,21-,23+,24+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@H:15]([OH:29])[C@@H:20]([OH:34])[C@@H:23]([OH:37])[C@H:26]([O:39][CH2:7][C@@H:13]2[C@@H:17]([OH:31])[C@H:21]([OH:35])[C@@H:24]([OH:38])[C@H:27]([O:42][C:12]3=[C:16]([OH:30])[C:18]([OH:32])=[C:14]4[C:11](=[CH:6]3)[O:41][C:25]([C:9]3=[CH:3][CH:5]=[C:10]([OH:28])[CH:4]=[CH:2]3)=[C:22]([OH:36])[C:19]4=[O:33])[O:43]2)[O:40]1 |
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