| Properties | Image |
|---|
| MNX_ID | MNXM1182814 |
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| reference | envipathM:...92e5ed06d6c6 |
| formula | C19H21N2O9 |
| global charge | -1 |
| mol weight | 421.382 |
| InChIKey | MAZHFJJVLNAVLA-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H22N2O9/c20-11-3-1-10(2-4-11)7-13-15(23)8-14(17(25)16(13)24)21-18(26)30-9-12(22)5-6-29-19(27)28/h1-4,8,12,22-25H,5-7,9,20H2,(H,21,26)(H,27,28)/p-1 |
| SMILES | NC1=CC=C(CC2=C(O)C(O)=C(NC(=O)OCC(O)CCOC(=O)[O-])C=C2O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H22N2O9/c20-11-3-1-10(2-4-11)7-13-15(23)8-14(17(25)16(13)24)21-18(26)30-9-12(22)5-6-29-19(27)28/h1-4,8,12,22-25H,5-7,9,20H2,(H,21,26)(H,27,28)/t12? |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:11]([NH2:20])=[CH:4][CH:2]=[C:10]1[CH2:7][C:13]1=[C:15]([OH:23])[CH:8]=[C:14]([N:21]=[C:18]([OH:26])[O:30][CH2:9][CH:12]([CH2:5][CH2:6][O:29][C:19](=[O:27])[OH:28])[OH:22])[C:17]([OH:25])=[C:16]1[OH:24] |
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