| Properties | Image |
|---|
| MNX_ID | MNXM1223033 |
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| reference | envipathM:...bdd0811ad9f2 |
| formula | C18H17NO10 |
| global charge | -2 |
| mol weight | 407.331 |
| InChIKey | BPRLPXKTHGJVNV-UHFFFAOYSA-L |
| InChI | InChI=1S/C18H19NO10/c1-10(20)13(15(22)16(23)24)14(21)11-4-6-12(7-5-11)19-17(25)28-8-2-3-9-29-18(26)27/h4-7,13,20H,1-3,8-9H2,(H,19,25)(H,23,24)(H,26,27)/p-2 |
| SMILES | C=C(O)C(C(=O)C(=O)[O-])C(=O)C1=CC=C(NC(=O)OCCCCOC(=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C18H19NO10/c1-10(20)13(15(22)16(23)24)14(21)11-4-6-12(7-5-11)19-17(25)28-8-2-3-9-29-18(26)27/h4-7,13,20H,1-3,8-9H2,(H,19,25)(H,23,24)(H,26,27)/t13? |
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| SMILES (mnx) | [CH2:1]=[C:10]([CH:13]([C:14]([C:11]1=[CH:5][CH:7]=[C:12]([NH:19][C:17](=[O:25])[O:28][CH2:8][CH2:2][CH2:3][CH2:9][O:29][C:18](=[O:26])[OH:27])[CH:6]=[CH:4]1)=[O:21])[C:15]([C:16]([OH:23])=[O:24])=[O:22])[OH:20] |
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