| Properties | Image |
|---|
| MNX_ID | MNXM58254 |
 |
| reference | lipidmapsM:LMPK12110578 |
| formula | C27H30O16 |
| global charge | 0 |
| mol weight | 610.521 |
| InChIKey | YAZLWFHAKRXSJO-VUEQRQRWSA-N |
| InChI | InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)30)23-24(20(35)17-12(31)5-10(29)6-15(17)40-23)42-27-25(21(36)19(34)16(7-28)41-27)43-26-22(37)18(33)13(32)8-39-26/h2-6,13,16,18-19,21-22,25-34,36-37H,7-8H2,1H3/t13-,16-,18+,19-,21+,22-,25-,26+,27+/m1/s1 |
| SMILES | COC1=C(O)C=CC(C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(=O)C3=C(C=C(O)C=C3O)O2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H30O16/c1-38-14-4-9(2-3-11(14)30)23-24(20(35)17-12(31)5-10(29)6-15(17)40-23)42-27-25(21(36)19(34)16(7-28)41-27)43-26-22(37)18(33)13(32)8-39-26/h2-6,13,16,18-19,21-22,25-34,36-37H,7-8H2,1H3/t13-,16-,18+,19-,21+,22-,25-,26+,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:38][C:14]1=[C:11]([OH:30])[CH:3]=[CH:2][C:9]([C:23]2=[C:24]([O:42][C@H:27]3[C@H:25]([O:43][C@H:26]4[C@H:22]([OH:37])[C@@H:18]([OH:33])[C@H:13]([OH:32])[CH2:8][O:39]4)[C@@H:21]([OH:36])[C@H:19]([OH:34])[C@@H:16]([CH2:7][OH:28])[O:41]3)[C:20](=[O:35])[C:17]3=[C:12]([OH:31])[CH:5]=[C:10]([OH:29])[CH:6]=[C:15]3[O:40]2)=[CH:4]1 |
|