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CHEBI:227082 - Aspernidgulene A1

ChEBI IDCHEBI:227082
ChEBI NameAspernidgulene A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O6
Net Charge0
Average Mass418.530
Monoisotopic Mass418.23554
SMILESCC(=CC=CC=C[C@]1(C)[C@@H](C)C(=O)O[C@H]1[C@@H](C)C(=O)O)[C@H]1[C@H](C)C(=O)[C@](C)(O)[C@@H]1C
InChIInChI=1S/C24H34O6/c1-13(18-14(2)19(25)24(7,29)16(18)4)11-9-8-10-12-23(6)17(5)22(28)30-20(23)15(3)21(26)27/h8-12,14-18,20,29H,1-7H3,(H,26,27)/t14-,15+,16+,17-,18-,20-,23+,24+/m0/s1
InChIKeyFTWALXVHOVPIMY-APCWBBGJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (30302871)
ChEBI Ontology
Outgoing Relation(s)
Aspernidgulene A1 (CHEBI:227082) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(2R)-2-[(2S,3R,4R)-3-[6-[(1R,2R,3R,5S)-3-hydroxy-2,3,5-trimethyl-4-oxocyclopentyl]hepta-1,3,5-trienyl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoic acid