| Properties | Image |
|---|
| MNX_ID | MNXM62792 |
 |
| reference | lipidmapsM:LMPK12112415 |
| formula | C27H30O17 |
| global charge | 0 |
| mol weight | 626.52 |
| InChIKey | IGWWQFFTCVTNTO-VQUFUSDISA-N |
| InChI | InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(40-7)42-13-3-8(2-11(31)17(13)33)24-25(19(35)15-10(30)4-9(29)5-12(15)41-24)44-27-23(39)21(37)18(34)14(6-28)43-27/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7-,14+,16-,18-,20+,21-,22+,23+,26-,27-/m0/s1 |
| SMILES | C[C@@H]1O[C@@H](OC2=C(O)C(O)=CC(C3=C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(=O)C4=C(C=C(O)C=C4O)O3)=C2)[C@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H30O17/c1-7-16(32)20(36)22(38)26(40-7)42-13-3-8(2-11(31)17(13)33)24-25(19(35)15-10(30)4-9(29)5-12(15)41-24)44-27-23(39)21(37)18(34)14(6-28)43-27/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7-,14+,16-,18-,20+,21-,22+,23+,26-,27-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:7]1[C@H:16]([OH:32])[C@@H:20]([OH:36])[C@@H:22]([OH:38])[C@H:26]([O:42][C:13]2=[CH:3][C:8]([C:24]3=[C:25]([O:44][C@H:27]4[C@H:23]([OH:39])[C@@H:21]([OH:37])[C@@H:18]([OH:34])[C@@H:14]([CH2:6][OH:28])[O:43]4)[C:19](=[O:35])[C:15]4=[C:10]([OH:30])[CH:4]=[C:9]([OH:29])[CH:5]=[C:12]4[O:41]3)=[CH:2][C:11]([OH:31])=[C:17]2[OH:33])[O:40]1 |
|