| Properties | Image |
|---|
| MNX_ID | MNXM1170000 |
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| reference | envipathM:...fdd8c7e30fd5 |
| formula | C19H20N2O9 |
| global charge | 0 |
| mol weight | 420.374 |
| InChIKey | DSOCEFDMSLQSCX-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H20N2O9/c20-18(27)29-6-5-13(22)9-30-19(28)21-12-3-1-10(2-4-12)7-11-8-14(23)16(25)17(26)15(11)24/h1-4,8,23-26H,5-7,9H2,(H2,20,27)(H,21,28) |
| SMILES | NC(=O)OCCC(=O)COC(=O)NC1=CC=C(CC2=C(O)C(O)=C(O)C(O)=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C19H20N2O9/c20-18(27)29-6-5-13(22)9-30-19(28)21-12-3-1-10(2-4-12)7-11-8-14(23)16(25)17(26)15(11)24/h1-4,8,23-26H,5-7,9H2,(H2,20,27)(H,21,28) |
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| SMILES (mnx) | [CH:1]1=[CH:3][C:12]([NH:21][C:19](=[O:28])[O:30][CH2:9][C:13]([CH2:5][CH2:6][O:29][C:18](=[NH:20])[OH:27])=[O:22])=[CH:4][CH:2]=[C:10]1[CH2:7][C:11]1=[CH:8][C:14]([OH:23])=[C:16]([OH:25])[C:17]([OH:26])=[C:15]1[OH:24] |
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