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CHEBI:202899 - (3R,4S,4aR)-4,8-dihydroxy-3-methyl-3,4,4a,5-tetrahydro-1H-2-benzopyran-1-one

ChEBI IDCHEBI:202899
ChEBI Name(3R,4S,4aR)-4,8-dihydroxy-3-methyl-3,4,4a,5-tetrahydro-1H-2-benzopyran-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12O4
Net Charge0
Average Mass196.202
Monoisotopic Mass196.07356
SMILESC[C@H]1OC(=O)C2=C(O)C=CC[C@H]2[C@@H]1O
InChIInChI=1S/C10H12O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2,4-6,9,11-12H,3H2,1H3/t5-,6-,9-/m1/s1
InChIKeyUWSQDVQKLXZPMB-HCVRKRLWSA-N
Species of MetaboliteComponentSourceComments
Conoplea (ncbitaxon:245576) - DOI (10.1021/np50125a021)
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,4aR)-4,8-dihydroxy-3-methyl-3,4,4a,5-tetrahydro-1H-2-benzopyran-1-one (CHEBI:202899) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S,4aR)-4,8-dihydroxy-3-methyl-3,4,4a,5-tetrahydroisochromen-1-one
Manual XrefsDatabases
28283871ChemSpider