| Properties | Image |
|---|
| MNX_ID | MNXM43270 |
 |
| reference | lipidmapsM:LMPK12111092 |
| formula | C28H32O14 |
| global charge | 0 |
| mol weight | 592.55 |
| InChIKey | YCBQJLWCMJJUTP-LKKWQATMSA-N |
| InChI | InChI=1S/C28H32O14/c1-11-19(31)26(42-27-23(35)22(34)20(32)17(10-29)41-27)24(36)28(38-11)40-16-9-15-18(21(33)25(16)37-2)13(30)8-14(39-15)12-6-4-3-5-7-12/h3-9,11,17,19-20,22-24,26-29,31-36H,10H2,1-2H3/t11-,17+,19-,20+,22-,23+,24+,26+,27-,28-/m0/s1 |
| SMILES | COC1=C(O)C2=C(C=C1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1O)OC(C1=CC=CC=C1)=CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C28H32O14/c1-11-19(31)26(42-27-23(35)22(34)20(32)17(10-29)41-27)24(36)28(38-11)40-16-9-15-18(21(33)25(16)37-2)13(30)8-14(39-15)12-6-4-3-5-7-12/h3-9,11,17,19-20,22-24,26-29,31-36H,10H2,1-2H3/t11-,17+,19-,20+,22-,23+,24+,26+,27-,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@H:19]([OH:31])[C@@H:26]([O:42][C@H:27]2[C@H:23]([OH:35])[C@@H:22]([OH:34])[C@H:20]([OH:32])[C@@H:17]([CH2:10][OH:29])[O:41]2)[C@@H:24]([OH:36])[C@H:28]([O:40][C:16]2=[CH:9][C:15]3=[C:18]([C:13](=[O:30])[CH:8]=[C:14]([C:12]4=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]4)[O:39]3)[C:21]([OH:33])=[C:25]2[O:37][CH3:2])[O:38]1 |
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