| Properties | Image |
|---|
| MNX_ID | MNXM38842 |
 |
| reference | lipidmapsM:LMPK12112812 |
| formula | C22H22O12 |
| global charge | 0 |
| mol weight | 478.406 |
| InChIKey | PMKDGKVUENNUGX-UFJVGALSSA-N |
| InChI | InChI=1S/C22H22O12/c1-31-20-10(25)6-11-13(15(20)27)16(28)21(19(32-11)8-2-4-9(24)5-3-8)34-22-18(30)17(29)14(26)12(7-23)33-22/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3/t12-,14+,17+,18-,22+/m1/s1 |
| SMILES | COC1=C(O)C2=C(C=C1O)OC(C1=CC=C(O)C=C1)=C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C2=O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O12/c1-31-20-10(25)6-11-13(15(20)27)16(28)21(19(32-11)8-2-4-9(24)5-3-8)34-22-18(30)17(29)14(26)12(7-23)33-22/h2-6,12,14,17-18,22-27,29-30H,7H2,1H3/t12-,14+,17+,18-,22+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:31][C:20]1=[C:15]([OH:27])[C:13]2=[C:11]([CH:6]=[C:10]1[OH:25])[O:32][C:19]([C:8]1=[CH:3][CH:5]=[C:9]([OH:24])[CH:4]=[CH:2]1)=[C:21]([O:34][C@H:22]1[C@H:18]([OH:30])[C@@H:17]([OH:29])[C@@H:14]([OH:26])[C@@H:12]([CH2:7][OH:23])[O:33]1)[C:16]2=[O:28] |
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