| Properties | Image |
|---|
| MNX_ID | MNXM14775 |
 |
| reference | metacycM:CPD-13688 |
| formula | C19H19O11 |
| global charge | -1 |
| mol weight | 423.35 |
| InChIKey | AYSIYQZBMZTTTC-DCCCRPSOSA-M |
| InChI | InChI=1S/C19H20O11/c1-8-4-15(23)29-11-5-9(2-3-10(8)11)28-19-18(26)17(25)16(24)12(30-19)7-27-14(22)6-13(20)21/h2-5,12,16-19,24-26H,6-7H2,1H3,(H,20,21)/p-1/t12-,16-,17+,18-,19-/m1/s1 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(O[C@@H]1O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)=C2 |
MNX internals
| InChI (mnx) | InChI=1/C19H20O11/c1-8-4-15(23)29-11-5-9(2-3-10(8)11)28-19-18(26)17(25)16(24)12(30-19)7-27-14(22)6-13(20)21/h2-5,12,16-19,24-26H,6-7H2,1H3,(H,20,21)/t12-,16-,17+,18-,19-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]1=[CH:4][C:15](=[O:23])[O:29][C:11]2=[C:10]1[CH:3]=[CH:2][C:9]([O:28][C@H:19]1[C@H:18]([OH:26])[C@@H:17]([OH:25])[C@H:16]([OH:24])[C@@H:12]([CH2:7][O:27][C:14]([CH2:6][C:13](=[O:20])[OH:21])=[O:22])[O:30]1)=[CH:5]2 |
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