| Properties | Image |
|---|
| MNX_ID | MNXM29184 |
 |
| reference | lipidmapsM:LMPK12120370 |
| formula | C21H22O12 |
| global charge | 0 |
| mol weight | 466.395 |
| InChIKey | AXEJJDWPMKPXLE-PJLDDUQVSA-N |
| InChI | InChI=1S/C21H22O12/c22-7-16-18(29)19(30)20(31)21(33-16)32-15-5-9(23)4-13(27)17(15)14(28)6-11(25)8-1-2-10(24)12(26)3-8/h1-6,16,18-27,29-31H,7H2/b11-6-/t16-,18-,19-,20-,21-/m1/s1 |
| SMILES | O=C(/C=C(\O)C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C21H22O12/c22-7-16-18(29)19(30)20(31)21(33-16)32-15-5-9(23)4-13(27)17(15)14(28)6-11(25)8-1-2-10(24)12(26)3-8/h1-6,16,18-27,29-31H,7H2/b11-6-/t16-,18-,19-,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:24])=[C:12]([OH:26])[CH:3]=[C:8]1/[C:11](=[CH:6]/[C:14]([C:17]1=[C:13]([OH:27])[CH:4]=[C:9]([OH:23])[CH:5]=[C:15]1[O:32][C@H:21]1[C@H:20]([OH:31])[C@H:19]([OH:30])[C@H:18]([OH:29])[C@@H:16]([CH2:7][OH:22])[O:33]1)=[O:28])[OH:25] |
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