| Properties | Image |
|---|
| MNX_ID | MNXM527842 |
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| reference | chebi:90186 |
| formula | C26H19NO12 |
| global charge | 0 |
| mol weight | 537.433 |
| InChIKey | IHLWXZNPOVMUFQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C26H19NO12/c1-8(28)27-5-4-9-2-3-12(29)10(6-9)15-22(33)19-18(24(35)23(15)34)20(31)11-7-13(30)16(25(36)37)17(26(38)39)14(11)21(19)32/h2-3,6-7,29-30,33-35H,4-5H2,1H3,(H,27,28)(H,36,37)(H,38,39) |
| SMILES | CC(=O)NCCC1=CC(C2=C(O)C(O)=C3C(=O)C4=C(C(=O)C3=C2O)C(C(=O)O)=C(C(=O)O)C(O)=C4)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H19NO12/c1-8(28)27-5-4-9-2-3-12(29)10(6-9)15-22(33)19-18(24(35)23(15)34)20(31)11-7-13(30)16(25(36)37)17(26(38)39)14(11)21(19)32/h2-3,6-7,29-30,33-35H,4-5H2,1H3,(H,27,28)(H,36,37)(H,38,39) |
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| SMILES (mnx) | [CH3:1][C:8](=[N:27][CH2:5][CH2:4][C:9]1=[CH:6][C:10]([C:15]2=[C:22]([OH:33])[C:19]3=[C:18]([C:20](=[O:31])[C:11]4=[CH:7][C:13]([OH:30])=[C:16]([C:25](=[O:36])[OH:37])[C:17]([C:26](=[O:38])[OH:39])=[C:14]4[C:21]3=[O:32])[C:24]([OH:35])=[C:23]2[OH:34])=[C:12]([OH:29])[CH:3]=[CH:2]1)[OH:28] |
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