| Properties | Image |
|---|
| MNX_ID | MNXM38809 |
 |
| reference | lipidmapsM:LMPK12111181 |
| formula | C20H18O11 |
| global charge | 0 |
| mol weight | 434.353 |
| InChIKey | MWTIXVAPAPFDDA-GBMKHEONSA-N |
| InChI | InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)12-4-10(23)15-13(30-12)5-14(17(26)18(15)27)31-20-19(28)16(25)11(24)6-29-20/h1-5,11,16,19-22,24-28H,6H2/t11-,16+,19-,20+/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C(O)C(O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C20H18O11/c21-8-2-1-7(3-9(8)22)12-4-10(23)15-13(30-12)5-14(17(26)18(15)27)31-20-19(28)16(25)11(24)6-29-20/h1-5,11,16,19-22,24-28H,6H2/t11-,16+,19-,20+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:8]([OH:21])=[C:9]([OH:22])[CH:3]=[C:7]1[C:12]1=[CH:4][C:10](=[O:23])[C:15]2=[C:13]([CH:5]=[C:14]([O:31][C@H:20]3[C@H:19]([OH:28])[C@@H:16]([OH:25])[C@H:11]([OH:24])[CH2:6][O:29]3)[C:17]([OH:26])=[C:18]2[OH:27])[O:30]1 |
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