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CHEBI:4921 - Eupachlorin acetate

ChEBI IDCHEBI:4921
ChEBI NameEupachlorin acetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H27ClO8
Net Charge0
Average Mass454.903
Monoisotopic Mass454.13945
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](OC(=O)/C(C)=C\C)C[C@](O)(CCl)[C@]1([H])[C@H](OC(C)=O)C=C(C)[C@]21O
InChIInChI=1S/C22H27ClO8/c1-6-10(2)19(25)30-15-8-21(27,9-23)17-14(29-13(5)24)7-11(3)22(17,28)18-16(15)12(4)20(26)31-18/h6-7,14-18,27-28H,4,8-9H2,1-3,5H3/b10-6-/t14-,15-,16-,17+,18+,21+,22-/m1/s1
InChIKeyWVTMFOWXYVFVDE-UPVVJIFBSA-N
ChEBI Ontology
Outgoing Relation(s)
Eupachlorin acetate (CHEBI:4921) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
Eupachlorin acetateKEGG COMPOUND
Manual XrefsDatabases
C09417KEGG COMPOUND
C00003264KNApSAcK
Registry NumbersSources
CAS:20501-52-4KEGG COMPOUND