| Properties | Image |
|---|
| MNX_ID | MNXM148215 |
 |
| reference | metacycM:CPD-17873 |
| formula | C19H14NO9 |
| global charge | -1 |
| mol weight | 400.319 |
| InChIKey | HVDQGXCRCGWKFN-MOPGFXCFSA-M |
| InChI | InChI=1S/C19H15NO9/c20-17(27)13-10(23)5-18(28)4-7-1-6-2-8(21)3-9(22)11(6)14(24)12(7)15(25)19(18,29)16(13)26/h1-3,21-24,28-29H,4-5H2,(H2,20,27)/p-1/t18-,19+/m1/s1 |
| SMILES | NC(=O)C1=C([O-])C[C@]2(O)CC3=CC4=CC(O)=CC(O)=C4C(O)=C3C(=O)[C@]2(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C19H15NO9/c20-17(27)13-10(23)5-18(28)4-7-1-6-2-8(21)3-9(22)11(6)14(24)12(7)15(25)19(18,29)16(13)26/h1-3,21-24,28-29H,4-5H2,(H2,20,27)/t18-,19+/m1/s1 |
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| SMILES (mnx) | [CH:1]1=[C:6]2[CH:2]=[C:8]([OH:21])[CH:3]=[C:9]([OH:22])[C:11]2=[C:14]([OH:24])[C:12]2=[C:7]1[CH2:4][C@@:18]1([OH:28])[CH2:5][C:10]([OH:23])=[C:13]([C:17](=[NH:20])[OH:27])[C:16](=[O:26])[C@@:19]1([OH:29])[C:15]2=[O:25] |
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