| Properties | Image |
|---|
| MNX_ID | MNXM156933 |
 |
| reference | lipidmapsM:LMPK12110579 |
| formula | C27H30O16 |
| global charge | 0 |
| mol weight | 610.521 |
| InChIKey | HIRWMGZVIYIRJM-HXMOASODSA-N |
| InChI | InChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3/t13-,16-,18+,19-,21+,22-,23-,26+,27+/m1/s1 |
| SMILES | COC1=C(O)C=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[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)29)24-25(20(34)17-12(30)5-10(28)6-15(17)41-24)43-27-23(37)21(35)19(33)16(42-27)8-40-26-22(36)18(32)13(31)7-39-26/h2-6,13,16,18-19,21-23,26-33,35-37H,7-8H2,1H3/t13-,16-,18+,19-,21+,22-,23-,26+,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:38][C:14]1=[C:11]([OH:29])[CH:3]=[CH:2][C:9]([C:24]2=[C:25]([O:43][C@H:27]3[C@H:23]([OH:37])[C@@H:21]([OH:35])[C@H:19]([OH:33])[C@@H:16]([CH2:8][O:40][C@H:26]4[C@H:22]([OH:36])[C@@H:18]([OH:32])[C@H:13]([OH:31])[CH2:7][O:39]4)[O:42]3)[C:20](=[O:34])[C:17]3=[C:12]([OH:30])[CH:5]=[C:10]([OH:28])[CH:6]=[C:15]3[O:41]2)=[CH:4]1 |
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