| Properties | Image |
|---|
| MNX_ID | MNXM60613 |
 |
| reference | lipidmapsM:LMPK12110698 |
| formula | C31H28O14 |
| global charge | 0 |
| mol weight | 624.551 |
| InChIKey | YUOAFHLRJCYEDE-PDXMVJPDSA-N |
| InChI | InChI=1S/C31H28O14/c1-41-23-8-14(2-5-18(23)33)3-7-26(37)42-13-25-28(38)29(39)30(40)31(45-25)43-16-10-20(35)27-21(36)12-22(44-24(27)11-16)15-4-6-17(32)19(34)9-15/h2-12,25,28-35,38-40H,13H2,1H3/b7-3+/t25-,28-,29+,30-,31-/m1/s1 |
| SMILES | COC1=CC(/C=C/C(=O)OC[C@H]2O[C@@H](OC3=CC4=C(C(=O)C=C(C5=CC(O)=C(O)C=C5)O4)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C31H28O14/c1-41-23-8-14(2-5-18(23)33)3-7-26(37)42-13-25-28(38)29(39)30(40)31(45-25)43-16-10-20(35)27-21(36)12-22(44-24(27)11-16)15-4-6-17(32)19(34)9-15/h2-12,25,28-35,38-40H,13H2,1H3/b7-3+/t25-,28-,29+,30-,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:41][C:23]1=[C:18]([OH:33])[CH:5]=[CH:2][C:14](/[CH:3]=[CH:7]/[C:26](=[O:37])[O:42][CH2:13][C@@H:25]2[C@@H:28]([OH:38])[C@H:29]([OH:39])[C@@H:30]([OH:40])[C@H:31]([O:43][C:16]3=[CH:10][C:20]([OH:35])=[C:27]4[C:21](=[O:36])[CH:12]=[C:22]([C:15]5=[CH:9][C:19]([OH:34])=[C:17]([OH:32])[CH:6]=[CH:4]5)[O:44][C:24]4=[CH:11]3)[O:45]2)=[CH:8]1 |
|