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CHEBI:215276 - Asterreusin A

ChEBI IDCHEBI:215276
ChEBI NameAsterreusin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCO[C@@H]1C=C2C[C@H](C)CCC2[C@@H](CC[C@@H]2C[C@@H](O)CC(=O)O2)[C@H]1C
InChIInChI=1S/C20H32O4/c1-12-4-6-18-14(8-12)9-19(23-3)13(2)17(18)7-5-16-10-15(21)11-20(22)24-16/h9,12-13,15-19,21H,4-8,10-11H2,1-3H3/t12-,13-,15-,16-,17+,18?,19-/m1/s1
InChIKeyKDQCNOMWAKRNFL-KAKBQZBMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29132077)
ChEBI Ontology
Outgoing Relation(s)
Asterreusin A (CHEBI:215276) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(4R,6R)-4-hydroxy-6-[2-[(1R,2R,3S,6R)-3-methoxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethyl]oxan-2-one
Manual XrefsDatabases
78442375ChemSpider