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CHEBI:204377 - (1aS,2S,3aR,6aR)-2,5-dihydroxy-6b-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-2,3,3a,6a-tetrahydro-1aH-oxireno[2,3-g][1]benzouran-4-one

ChEBI IDCHEBI:204377
ChEBI Name(1aS,2S,3aR,6aR)-2,5-dihydroxy-6b-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-2,3,3a,6a-tetrahydro-1aH-oxireno[2,3-g][1]benzouran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O5
Net Charge0
Average Mass294.347
Monoisotopic Mass294.14672
SMILESC=C(C)C1(O)O[C@@H]2[C@@H](C[C@H](O)[C@@H]3OC23CC=C(C)C)C1=O
InChIInChI=1S/C16H22O5/c1-8(2)5-6-15-13-10(7-11(17)14(15)20-15)12(18)16(19,21-13)9(3)4/h5,10-11,13-14,17,19H,3,6-7H2,1-2,4H3/t10-,11-,13+,14-,15?,16?/m0/s1
InChIKeyXPXSAYHDFXLORU-HLWWQPPKSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (23859601)
ChEBI Ontology
Outgoing Relation(s)
(1aS,2S,3aR,6aR)-2,5-dihydroxy-6b-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-2,3,3a,6a-tetrahydro-1aH-oxireno[2,3-g][1]benzouran-4-one (CHEBI:204377) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1aS,2S,3aR,6aR)-2,5-dihydroxy-6b-(3-methylbut-2-enyl)-5-prop-1-en-2-yl-2,3,3a,6a-tetrahydro-1aH-oxireno[2,3-g][1]benzouran-4-one
Manual XrefsDatabases
78437132ChemSpider