| Properties | Image |
|---|
| MNX_ID | MNXM1185778 |
 |
| reference | envipathM:...c28c6eb7eb3e |
| formula | C19H18NO9 |
| global charge | -1 |
| mol weight | 404.351 |
| InChIKey | QXVADBCHZFOGCI-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H19NO9/c21-14(5-6-28-19(26)27)10-29-18(25)20-13-3-1-11(2-4-13)7-12-8-16(23)17(24)9-15(12)22/h1-4,8-9,22-24H,5-7,10H2,(H,20,25)(H,26,27)/p-1 |
| SMILES | O=C(CCOC(=O)[O-])COC(=O)NC1=CC=C(CC2=C(O)C=C(O)C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H19NO9/c21-14(5-6-28-19(26)27)10-29-18(25)20-13-3-1-11(2-4-13)7-12-8-16(23)17(24)9-15(12)22/h1-4,8-9,22-24H,5-7,10H2,(H,20,25)(H,26,27) |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:13]([NH:20][C:18](=[O:25])[O:29][CH2:10][C:14]([CH2:5][CH2:6][O:28][C:19](=[O:26])[OH:27])=[O:21])=[CH:4][CH:2]=[C:11]1[CH2:7][C:12]1=[CH:8][C:16]([OH:23])=[C:17]([OH:24])[CH:9]=[C:15]1[OH:22] |
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