| Properties | Image |
|---|
| MNX_ID | MNXM29743 |
 |
| reference | lipidmapsM:LMPK12120147 |
| formula | C30H28O12 |
| global charge | 0 |
| mol weight | 580.542 |
| InChIKey | MXLIDYXKRCYRPL-SVQBVAIGSA-N |
| InChI | InChI=1S/C30H28O12/c31-18-7-1-16(2-8-18)5-12-21(33)20-11-13-22(26(36)25(20)35)41-30-29(39)28(38)27(37)23(42-30)15-40-24(34)14-6-17-3-9-19(32)10-4-17/h1-14,23,27-32,35-39H,15H2/b12-5+,14-6+/t23-,27-,28+,29-,30-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC=C(C(=O)/C=C/C3=CC=C(O)C=C3)C(O)=C2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H28O12/c31-18-7-1-16(2-8-18)5-12-21(33)20-11-13-22(26(36)25(20)35)41-30-29(39)28(38)27(37)23(42-30)15-40-24(34)14-6-17-3-9-19(32)10-4-17/h1-14,23,27-32,35-39H,15H2/b12-5+,14-6+/t23-,27-,28+,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:7][C:18]([OH:31])=[CH:8][CH:2]=[C:16]1/[CH:5]=[CH:12]/[C:21]([C:20]1=[C:25]([OH:35])[C:26]([OH:36])=[C:22]([O:41][C@H:30]2[C@H:29]([OH:39])[C@@H:28]([OH:38])[C@H:27]([OH:37])[C@@H:23]([CH2:15][O:40][C:24](/[CH:14]=[CH:6]/[C:17]3=[CH:4][CH:10]=[C:19]([OH:32])[CH:9]=[CH:3]3)=[O:34])[O:42]2)[CH:13]=[CH:11]1)=[O:33] |
|