| Properties | Image |
|---|
| MNX_ID | MNXM35952 |
 |
| reference | lipidmapsM:LMPK12110755 |
| formula | C22H20O10 |
| global charge | 0 |
| mol weight | 444.392 |
| InChIKey | ZXKDFTZACWMRCV-WSGHVGJBSA-N |
| InChI | InChI=1S/C22H20O10/c1-8-18(26)20(28)21(29)22(31-8)17-12(25)7-15-16(19(17)27)11(24)6-13(32-15)9-3-4-10(23)14(5-9)30-2/h3-8,20-23,25,27-29H,1-2H3/t8-,20-,21+,22-/m1/s1 |
| SMILES | COC1=C(O)C=CC(C2=CC(=O)C3=C(C=C(O)C([C@H]4O[C@H](C)C(=O)[C@@H](O)[C@@H]4O)=C3O)O2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C22H20O10/c1-8-18(26)20(28)21(29)22(31-8)17-12(25)7-15-16(19(17)27)11(24)6-13(32-15)9-3-4-10(23)14(5-9)30-2/h3-8,20-23,25,27-29H,1-2H3/t8-,20-,21+,22-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:8]1[C:18](=[O:26])[C@@H:20]([OH:28])[C@H:21]([OH:29])[C@@H:22]([C:17]2=[C:19]([OH:27])[C:16]3=[C:15]([CH:7]=[C:12]2[OH:25])[O:32][C:13]([C:9]2=[CH:5][C:14]([O:30][CH3:2])=[C:10]([OH:23])[CH:4]=[CH:3]2)=[CH:6][C:11]3=[O:24])[O:31]1 |
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