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CHEBI:216504 - (3R,4aS,8S,8aR)-8-hydroxy-3-rnethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-2-benzopyran-1-one

ChEBI IDCHEBI:216504
ChEBI Name(3R,4aS,8S,8aR)-8-hydroxy-3-rnethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-2-benzopyran-1-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESC[C@@H]1C[C@@H]2CCC[C@H](O)[C@@H]2C(=O)O1
InChIInChI=1S/C10H16O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-/m1/s1
InChIKeyMXMDZXIALPKANE-RYPBNFRJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4aS,8S,8aR)-8-hydroxy-3-rnethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-2-benzopyran-1-one (CHEBI:216504) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4aS,8S,8aR)-8-hydroxy-3-methyl-3,4,4a,5,6,7,8,8a-octahydroisochromen-1-one
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