| Properties | Image |
|---|
| MNX_ID | MNXM166705 |
 |
| reference | sabiorkM:26094 |
| formula | C15H15NO7 |
| global charge | 0 |
| mol weight | 321.285 |
| InChIKey | DPEGQJDYRIQRHI-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8/h1-6,10-13,15,17-19H,(H,20,21) |
| SMILES | O=C(O)C1OC(OC2=CC=CC3=CC=CN=C32)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8/h1-6,10-13,15,17-19H,(H,20,21)/t10?,11?,12?,13?,15? |
 |
| SMILES (mnx) | [CH:1]1=[CH:3][C:7]2=[CH:4][CH:2]=[CH:6][N:16]=[C:9]2[C:8]([O:22][CH:15]2[CH:12]([OH:19])[CH:10]([OH:17])[CH:11]([OH:18])[CH:13]([C:14](=[O:20])[OH:21])[O:23]2)=[CH:5]1 |
|