| Properties | Image |
|---|
| MNX_ID | MNXM1188621 |
 |
| reference | envipathM:...7d78603d70a2 |
| formula | C17H19NO9 |
| global charge | -2 |
| mol weight | 381.337 |
| InChIKey | QALVPDNDVUABDW-UHFFFAOYSA-L |
| InChI | InChI=1S/C17H21NO9/c1-2-13(15(21)22)14(20)10-3-5-11(6-4-10)18-16(23)26-8-7-12(19)9-27-17(24)25/h2-6,12-14,19-20H,1,7-9H2,(H,18,23)(H,21,22)(H,24,25)/p-2 |
| SMILES | C=CC(C(=O)[O-])C(O)C1=CC=C(NC(=O)OCCC(O)COC(=O)[O-])C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C17H21NO9/c1-2-13(15(21)22)14(20)10-3-5-11(6-4-10)18-16(23)26-8-7-12(19)9-27-17(24)25/h2-6,12-14,19-20H,1,7-9H2,(H,18,23)(H,21,22)(H,24,25)/t12?,13?,14? |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][CH:13]([CH:14]([C:10]1=[CH:4][CH:6]=[C:11]([NH:18][C:16](=[O:23])[O:26][CH2:8][CH2:7][CH:12]([CH2:9][O:27][C:17](=[O:24])[OH:25])[OH:19])[CH:5]=[CH:3]1)[OH:20])[C:15](=[O:21])[OH:22] |
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