(Q105375991)

English

7-hydroxy-5-{1-[(4Z)-2-imino-3H-imidazol-4-ylidene]-2-oxopropyl}-2-methylchromen-4-one

chemical compound

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Statements

type of chemical entity

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biogenic chromone

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311.090605896 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₁₃N₃O₄

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canonical SMILES

O=C1C=C(OC2=CC(O)=CC(=C12)C(C(=O)C)=C3C=NC(=N)N3)C

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isomeric SMILES

CC(=O)/C(=C1/C=NC(=N)N1)c1cc(O)cc2oc(C)cc(=O)c12

1 reference

based on heuristic

inferred from InChI

1 reference

Cassiadinine, a chromone alkaloid and (+)-6-hydroxy-mellein, a dihydroisocoumarin from Cassia siamea

Identifiers

InChI=1S/C16H13N3O4/c1-7-3-12(22)15-10(4-9(21)5-13(15)23-7)14(8(2)20)11-6-18-16(17)19-11/h3-6,21H,1-2H3,(H2,17,19)/b14-11+

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ZHTDXRDZOPEPEC-SDNWHVSQSA-N

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