| Properties | Image |
|---|
| MNX_ID | MNXM1176613 |
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| reference | envipathM:...fcb7f307a462 |
| formula | C18H21NO10 |
| global charge | -2 |
| mol weight | 411.363 |
| InChIKey | OGXVQRFQBKZHAM-UHFFFAOYSA-L |
| InChI | InChI=1S/C18H23NO10/c1-18(27,9-14(21)15(22)23)8-11-2-4-12(5-3-11)19-16(24)29-10-13(20)6-7-28-17(25)26/h2-5,13,20,27H,6-10H2,1H3,(H,19,24)(H,22,23)(H,25,26)/p-2 |
| SMILES | CC(O)(CC(=O)C(=O)[O-])CC1=CC=C(NC(=O)OCC(O)CCOC(=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H23NO10/c1-18(27,9-14(21)15(22)23)8-11-2-4-12(5-3-11)19-16(24)29-10-13(20)6-7-28-17(25)26/h2-5,13,20,27H,6-10H2,1H3,(H,19,24)(H,22,23)(H,25,26)/t13?,18? |
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| SMILES (mnx) | [CH3:1][C:18]([CH2:8][C:11]1=[CH:3][CH:5]=[C:12]([NH:19][C:16](=[O:24])[O:29][CH2:10][CH:13]([CH2:6][CH2:7][O:28][C:17](=[O:25])[OH:26])[OH:20])[CH:4]=[CH:2]1)([CH2:9][C:14]([C:15]([OH:22])=[O:23])=[O:21])[OH:27] |
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