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CHEBI:200999 - (3S,4aR,7S)-7,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one

ChEBI IDCHEBI:200999
ChEBI Name(3S,4aR,7S)-7,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O4
Net Charge0
Average Mass198.218
Monoisotopic Mass198.08921
SMILESC[C@H]1C[C@H]2CC[C@H](O)C(O)=C2C(=O)O1
InChIInChI=1S/C10H14O4/c1-5-4-6-2-3-7(11)9(12)8(6)10(13)14-5/h5-7,11-12H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyCYXDVBHWKYFDMV-XVMARJQXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4aR,7S)-7,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one (CHEBI:200999) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3S,4aR,7S)-7,8-dihydroxy-3-methyl-3,4,4a,5,6,7-hexahydroisochromen-1-one
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