| Properties | Image |
|---|
| MNX_ID | MNXM39962 |
 |
| reference | lipidmapsM:LMPK12110450 |
| formula | C28H32O14 |
| global charge | 0 |
| mol weight | 592.55 |
| InChIKey | MLWDGPFGTFOLRJ-CUVHLRMHSA-N |
| InChI | InChI=1S/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
| SMILES | COC1=CC=C(C2=CC(=O)C3=C(C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C=C3O)O2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:11]1[C@H:21]([OH:32])[C@@H:23]([OH:34])[C@@H:25]([OH:36])[C@H:27]([O:42][C@@H:26]2[C@@H:24]([OH:35])[C@H:22]([OH:33])[C@@H:19]([CH2:10][OH:29])[O:41][C@H:28]2[O:39][C:14]2=[CH:7][C:15]([OH:30])=[C:20]3[C:16](=[O:31])[CH:9]=[C:17]([C:12]4=[CH:4][CH:6]=[C:13]([O:37][CH3:2])[CH:5]=[CH:3]4)[O:40][C:18]3=[CH:8]2)[O:38]1 |
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