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CHEBI:182268 - Arnicolide D

ChEBI IDCHEBI:182268
ChEBI NameArnicolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O5
Net Charge0
Average Mass332.396
Monoisotopic Mass332.16237
SMILES[H][C@@]12[C@H](C)C(=O)O[C@]1([H])C[C@@H](C)[C@]1([H])C=CC(=O)[C@@]1(C)[C@H]2OC(=O)C(=C)C
InChIInChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,10-13,15-16H,1,8H2,2-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1
InChIKeyNZESEVTYUVXOTC-APDQSUQKSA-N
ChEBI Ontology
Outgoing Relation(s)
Arnicolide D (CHEBI:182268) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
[(1S,3aR,5R,5aR,8aR,9S,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]uran-9-yl] 2-methylprop-2-enoate
Manual XrefsDatabases
158463ChemSpider
Registry NumbersSources
CAS:34532-68-8ChemIDplus