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CHEBI:6459 - Ligulatin B

ChEBI IDCHEBI:6459
ChEBI NameLigulatin B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@@]12OC(=O)C(=C)[C@]1([H])CC[C@H](C)[C@]1([H])CCC(=O)[C@@]21COC(C)=O
InChIInChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1
InChIKeyBDTUWJXMQGOJIJ-AUPGVYSRSA-N
ChEBI Ontology
Outgoing Relation(s)
Ligulatin B (CHEBI:6459) is a sesquiterpene lactone (CHEBI:37667)
Synonyms  Source
Ligulatin BKEGG COMPOUND
IncaninKEGG COMPOUND
Manual XrefsDatabases
C09494KEGG COMPOUND
C00003316KNApSAcK
Registry NumbersSources
CAS:31299-06-6KEGG COMPOUND