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CHEBI:6990 - Montanin A

ChEBI IDCHEBI:6990
ChEBI NameMontanin A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H20O4
Net Charge0
Average Mass312.365
Monoisotopic Mass312.13616
SMILES[H][C@]12CCCc3coc(c31)C[C@@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O
InChIInChI=1S/C19H20O4/c1-11-7-15-17-13(10-22-15)3-2-4-14(17)19(11)8-16(23-18(19)20)12-5-6-21-9-12/h5-6,9-11,14,16H,2-4,7-8H2,1H3/t11-,14+,16+,19-/m1/s1
InChIKeyCZGWUKXZLUIKBU-IUYNRSMJSA-N
ChEBI Ontology
Outgoing Relation(s)
Montanin A (CHEBI:6990) is a benzofurans (CHEBI:35259)
Synonym  Source
Montanin AKEGG COMPOUND
Manual XrefsDatabases
C09136KEGG COMPOUND
C00003456KNApSAcK
Registry NumbersSources
CAS:68370-49-0KEGG COMPOUND