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CHEBI:109148 - 3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid

ChEBI IDCHEBI:109148
ChEBI Name3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid
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DownloadsMolfile
FormulaC20H14N4O6S
Net Charge0
Average Mass438.421
Monoisotopic Mass438.06341
SMILESO=C(O)CCn1cc(C=C2C(=O)NC(=S)NC2=O)c(-c2cc3ccccc3oc2=O)n1
InChIInChI=1S/C20H14N4O6S/c25-15(26)5-6-24-9-11(8-13-17(27)21-20(31)22-18(13)28)16(23-24)12-7-10-3-1-2-4-14(10)30-19(12)29/h1-4,7-9H,5-6H2,(H,25,26)(H2,21,22,27,28,31)
InChIKeyLJKVWAWDRLURJW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid (CHEBI:109148) is a coumarins (CHEBI:23403)
Manual XrefsDatabases
LSM-20545LINCS