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CHEBI:212774 - Scirpyrane A

ChEBI IDCHEBI:212774
ChEBI NameScirpyrane A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCC=C[C@@H]1O[C@H]2C(=C(OC)[C@H]1O)C(=O)O[C@H]2C
InChIInChI=1S/C12H16O5/c1-4-5-7-9(13)11(15-3)8-10(17-7)6(2)16-12(8)14/h4-7,9-10,13H,1-3H3/t6-,7-,9-,10+/m0/s1
InChIKeyMALLXYWJMJGPQU-ZRUAGYDASA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis scirpina (ncbitaxon:1158741) - DOI (10.1002/ejoc.201200007)
ChEBI Ontology
Outgoing Relation(s)
Scirpyrane A (CHEBI:212774) is a furopyran (CHEBI:74927)
IUPAC Name 
(2S,3S,7S,7aS)-3-hydroxy-4-methoxy-7-methyl-2-prop-1-enyl-2,3,7,7a-tetrahydrouro[3,4-b]pyran-5-one