| Properties | Image |
|---|
| MNX_ID | MNXM38778 |
 |
| reference | lipidmapsM:LMPK12111178 |
| formula | C21H20O12 |
| global charge | 0 |
| mol weight | 464.379 |
| InChIKey | WJJFWGUVMIUWGG-QOUKUZOOSA-N |
| InChI | InChI=1S/C21H20O12/c22-6-14-16(27)18(29)19(30)21(32-14)33-20-11(26)5-13-15(17(20)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,16,18-19,21-24,26-30H,6H2/t14-,16-,18+,19-,21+/m1/s1 |
| SMILES | O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C21H20O12/c22-6-14-16(27)18(29)19(30)21(32-14)33-20-11(26)5-13-15(17(20)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,16,18-19,21-24,26-30H,6H2/t14-,16-,18+,19-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:8]([OH:23])=[C:9]([OH:24])[CH:3]=[C:7]1[C:12]1=[CH:4][C:10](=[O:25])[C:15]2=[C:13]([CH:5]=[C:11]([OH:26])[C:20]([O:33][C@H:21]3[C@H:19]([OH:30])[C@@H:18]([OH:29])[C@H:16]([OH:27])[C@@H:14]([CH2:6][OH:22])[O:32]3)=[C:17]2[OH:28])[O:31]1 |
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