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CHEBI:215231 - (3aS,4R,5S,7aR)-4,5-dihydroxy-7-methyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-2-one

ChEBI IDCHEBI:215231
ChEBI Name(3aS,4R,5S,7aR)-4,5-dihydroxy-7-methyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O5
Net Charge0
Average Mass186.163
Monoisotopic Mass186.05282
SMILESCC1=C[C@H](O)[C@@H](O)[C@@H]2OC(=O)O[C@H]12
InChIInChI=1S/C8H10O5/c1-3-2-4(9)5(10)7-6(3)12-8(11)13-7/h2,4-7,9-10H,1H3/t4-,5+,6+,7-/m0/s1
InChIKeyRYEUJNKDXDLZBY-WNJXEPBRSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia (ncbitaxon:66739) - PubMed (18685216)
ChEBI Ontology
Outgoing Relation(s)
(3aS,4R,5S,7aR)-4,5-dihydroxy-7-methyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-2-one (CHEBI:215231) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aS,4R,5S,7aR)-4,5-dihydroxy-7-methyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
Manual XrefsDatabases
78437534ChemSpider