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CHEBI:226453 - (3R,4S,bR)-3,4,4a,5,6,7-Hexahydro-4,8-dihidroxy-3-methyl-1H-2-benzopyran-1-one

ChEBI IDCHEBI:226453
ChEBI Name(3R,4S,bR)-3,4,4a,5,6,7-Hexahydro-4,8-dihidroxy-3-methyl-1H-2-benzopyran-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O4
Net Charge0
Average Mass198.218
Monoisotopic Mass198.08921
SMILESC[C@H]1OC(=O)C2=C(O)CCC[C@H]2[C@@H]1O
InChIInChI=1S/C10H14O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h5-6,9,11-12H,2-4H2,1H3/t5-,6-,9-/m1/s1
InChIKeyDMSJNSRRGQBKJW-HCVRKRLWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,bR)-3,4,4a,5,6,7-Hexahydro-4,8-dihidroxy-3-methyl-1H-2-benzopyran-1-one (CHEBI:226453) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S,4aR)-4,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one
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