| Properties | Image |
|---|
| MNX_ID | MNXM56560 |
 |
| reference | lipidmapsM:LMPK12111150 |
| formula | C22H22O10 |
| global charge | 0 |
| mol weight | 446.408 |
| InChIKey | HCWDWJFVGNXGNS-HUECEVEHSA-N |
| InChI | InChI=1S/C22H22O10/c1-9-17(25)19(27)20(28)22(30-9)32-15-8-14-16(18(26)21(15)29-2)12(24)7-13(31-14)10-3-5-11(23)6-4-10/h3-9,17,19-20,22-23,25-28H,1-2H3/t9-,17-,19+,20+,22-/m0/s1 |
| SMILES | COC1=C(O)C2=C(C=C1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)OC(C1=CC=C(O)C=C1)=CC2=O |
MNX internals
| InChI (mnx) | InChI=1/C22H22O10/c1-9-17(25)19(27)20(28)22(30-9)32-15-8-14-16(18(26)21(15)29-2)12(24)7-13(31-14)10-3-5-11(23)6-4-10/h3-9,17,19-20,22-23,25-28H,1-2H3/t9-,17-,19+,20+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:17]([OH:25])[C@@H:19]([OH:27])[C@@H:20]([OH:28])[C@H:22]([O:32][C:15]2=[CH:8][C:14]3=[C:16]([C:12](=[O:24])[CH:7]=[C:13]([C:10]4=[CH:4][CH:6]=[C:11]([OH:23])[CH:5]=[CH:3]4)[O:31]3)[C:18]([OH:26])=[C:21]2[O:29][CH3:2])[O:30]1 |
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