| Properties | Image |
MNX_ID | MNXM1111617 |
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reference | keggC:C12392 |
formula | C18H13NO4 |
global charge | 0 |
mol weight | 307.305 |
InChIKey | BNUJIESPRPGZOC-UHFFFAOYSA-N |
InChI | InChI=1S/C18H13NO4/c1-7-5-9-12(11(21)6-7)14-15(16(9)19)18(23)13-8(17(14)22)3-2-4-10(13)20/h2-6,16,20-21H,19H2,1H3 |
SMILES | CC1=CC2=C(C(O)=C1)C1=C(C(=O)C3=C(O)C=CC=C3C1=O)C2N |
MNX internals
InChI (mnx) | InChI=1/C18H13NO4/c1-7-5-9-12(11(21)6-7)14-15(16(9)19)18(23)13-8(17(14)22)3-2-4-10(13)20/h2-6,16,20-21H,19H2,1H3/t16? |
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SMILES (mnx) | [CH3:1][C:7]1=[CH:6][C:11]([OH:21])=[C:12]2[C:9](=[CH:5]1)[CH:16]([NH2:19])[C:15]1=[C:14]2[C:17](=[O:22])[C:8]2=[C:13]([C:10]([OH:20])=[CH:4][CH:2]=[CH:3]2)[C:18]1=[O:23] |
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