| Properties | Image |
|---|
| MNX_ID | MNXM27051 |
 |
| reference | lipidmapsM:LMPK12110958 |
| formula | C28H32O14 |
| global charge | 0 |
| mol weight | 592.55 |
| InChIKey | GGDFFHNOKNWBNL-AQLOEVPPSA-N |
| InChI | InChI=1S/C28H32O14/c1-36-13-5-3-12(4-6-13)17-9-15(29)21-18(37-2)7-14(8-19(21)41-17)40-28-26(35)24(33)23(32)20(42-28)11-39-27-25(34)22(31)16(30)10-38-27/h3-9,16,20,22-28,30-35H,10-11H2,1-2H3/t16-,20-,22+,23-,24+,25-,26-,27+,28-/m1/s1 |
| SMILES | COC1=CC=C(C2=CC(=O)C3=C(OC)C=C(O[C@@H]4O[C@H](CO[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O14/c1-36-13-5-3-12(4-6-13)17-9-15(29)21-18(37-2)7-14(8-19(21)41-17)40-28-26(35)24(33)23(32)20(42-28)11-39-27-25(34)22(31)16(30)10-38-27/h3-9,16,20,22-28,30-35H,10-11H2,1-2H3/t16-,20-,22+,23-,24+,25-,26-,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:36][C:13]1=[CH:6][CH:4]=[C:12]([C:17]2=[CH:9][C:15](=[O:29])[C:21]3=[C:18]([O:37][CH3:2])[CH:7]=[C:14]([O:40][C@H:28]4[C@H:26]([OH:35])[C@@H:24]([OH:33])[C@H:23]([OH:32])[C@@H:20]([CH2:11][O:39][C@H:27]5[C@H:25]([OH:34])[C@@H:22]([OH:31])[C@H:16]([OH:30])[CH2:10][O:38]5)[O:42]4)[CH:8]=[C:19]3[O:41]2)[CH:3]=[CH:5]1 |
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