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CHEBI:8632 - Pteryxin

ChEBI IDCHEBI:8632
ChEBI NamePteryxin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H22O7
Net Charge0
Average Mass386.400
Monoisotopic Mass386.13655
SMILESC/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=O
InChIInChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1
InChIKeyLYUZYPKZQDYMEE-YRCPKEQFSA-N
ChEBI Ontology
Outgoing Relation(s)
Pteryxin (CHEBI:8632) is a coumarins (CHEBI:23403)
Synonym  Source
PteryxinKEGG COMPOUND
Manual XrefsDatabases
C09307KEGG COMPOUND
C00002494KNApSAcK
Registry NumbersSources
CAS:13161-75-6KEGG COMPOUND