EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201601 - (3aS,6S,7R,7aS)-6,7-dihydroxy-6-methylhexahydro-2H-spiro-[benzofuran-3,2′-oxiran]-2-one

ChEBI IDCHEBI:201601
ChEBI Name(3aS,6S,7R,7aS)-6,7-dihydroxy-6-methylhexahydro-2H-spiro-[benzofuran-3,2′-oxiran]-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O5
Net Charge0
Average Mass214.217
Monoisotopic Mass214.08412
SMILESC[C@]1(O)CC[C@H]2[C@H](OC(=O)C23CO3)[C@H]1O
InChIInChI=1S/C10H14O5/c1-9(13)3-2-5-6(7(9)11)15-8(12)10(5)4-14-10/h5-7,11,13H,2-4H2,1H3/t5-,6-,7+,9-,10?/m0/s1
InChIKeyXBSLSVHALDMLEQ-DJGCSZQWSA-N
Species of MetaboliteComponentSourceComments
Pleurotus cornucopiae (ncbitaxon:5321) - PubMed (23650961)
ChEBI Ontology
Outgoing Relation(s)
(3aS,6S,7R,7aS)-6,7-dihydroxy-6-methylhexahydro-2H-spiro-[benzofuran-3,2′-oxiran]-2-one (CHEBI:201601) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3aS,6S,7R,7aS)-6,7-dihydroxy-6-methylspiro[4,5,7,7a-tetrahydro-3aH-1-benzouran-3,2'-oxirane]-2-one
Manual XrefsDatabases
78436760ChemSpider