| Properties | Image |
|---|
| MNX_ID | MNXM46238 |
 |
| reference | lipidmapsM:LMPK12120247 |
| formula | C21H22O10 |
| global charge | 0 |
| mol weight | 434.397 |
| InChIKey | GAARAMNTPQAIOT-JSYAWONVSA-N |
| InChI | InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-4-1-10(2-5-12)3-6-13(24)17-14(25)7-11(23)8-15(17)26/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1 |
| SMILES | O=C(/C=C/C1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1)C1=C(O)C=C(O)C=C1O |
MNX internals
| InChI (mnx) | InChI=1/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-4-1-10(2-5-12)3-6-13(24)17-14(25)7-11(23)8-15(17)26/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:4][C:12]([O:30][C@H:21]2[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:16]([CH2:9][OH:22])[O:31]2)=[CH:5][CH:2]=[C:10]1/[CH:3]=[CH:6]/[C:13]([C:17]1=[C:14]([OH:25])[CH:7]=[C:11]([OH:23])[CH:8]=[C:15]1[OH:26])=[O:24] |
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