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CHEBI:6056 - Isosamidin

ChEBI IDCHEBI:6056
ChEBI NameIsosamidin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESCC(=O)O[C@@H]1[C@H](OC(=O)C=C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C
InChIInChI=1S/C21H22O7/c1-11(2)10-16(24)27-19-17-14(28-21(4,5)20(19)25-12(3)22)8-6-13-7-9-15(23)26-18(13)17/h6-10,19-20H,1-5H3/t19-,20-/m1/s1
InChIKeyVPDWBGHNQKUFNN-WOJBJXKFSA-N
ChEBI Ontology
Outgoing Relation(s)
Isosamidin (CHEBI:6056) is a coumarins (CHEBI:23403)
Synonym  Source
IsosamidinKEGG COMPOUND
Manual XrefsDatabases
C09270KEGG COMPOUND
C00002478KNApSAcK
Registry NumbersSources
CAS:53023-18-0KEGG COMPOUND