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CHEBI:210615 - (3aR,4S,5R,7aS)-4,5-dihydroxy-6-methyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one

ChEBI IDCHEBI:210615
ChEBI Name(3aR,4S,5R,7aS)-4,5-dihydroxy-6-methyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H10O5
Net Charge0
Average Mass186.163
Monoisotopic Mass186.05282
SMILESCC1=C[C@@H]2OC(=O)O[C@@H]2[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H10O5/c1-3-2-4-7(6(10)5(3)9)13-8(11)12-4/h2,4-7,9-10H,1H3/t4-,5+,6-,7-/m0/s1
InChIKeyGVLJZCSVFFYGON-VZFHVOOUSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia (ncbitaxon:66739) - PubMed (27392405)
ChEBI Ontology
Outgoing Relation(s)
(3aR,4S,5R,7aS)-4,5-dihydroxy-6-methyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one (CHEBI:210615) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aR,4S,5R,7aS)-4,5-dihydroxy-6-methyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
Manual XrefsDatabases
61410461ChemSpider