| Properties | Image |
|---|
| MNX_ID | MNXM45814 |
 |
| reference | lipidmapsM:LMPK12020066 |
| formula | C27H34O16 |
| global charge | 0 |
| mol weight | 614.553 |
| InChIKey | GYIXFTSTDSKAJK-NUWJVJKESA-N |
| InChI | InChI=1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-12(14)31)25-13(32)6-11-15(39-25)4-10(30)5-16(11)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2/t13-,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1 |
| SMILES | OC[C@H]1O[C@@H](OC2=CC(O)=CC3=C2C[C@H](O)[C@@H](C2=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C2)O3)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-14-2-1-9(3-12(14)31)25-13(32)6-11-15(39-25)4-10(30)5-16(11)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-5,13,17-38H,6-8H2/t13-,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:14]([O:40][C@H:26]2[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:19]([OH:33])[C@@H:17]([CH2:7][OH:28])[O:42]2)=[C:12]([OH:31])[CH:3]=[C:9]1[C@@H:25]1[C@@H:13]([OH:32])[CH2:6][C:11]2=[C:15]([CH:4]=[C:10]([OH:30])[CH:5]=[C:16]2[O:41][C@H:27]2[C@H:24]([OH:38])[C@@H:22]([OH:36])[C@H:20]([OH:34])[C@@H:18]([CH2:8][OH:29])[O:43]2)[O:39]1 |
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