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CHEBI:207552 - Sporulosaldein E

ChEBI IDCHEBI:207552
ChEBI NameSporulosaldein E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESCOc1c(C=O)c(O)cc2c1CO[C@@H](C)C2
InChIInChI=1S/C12H14O4/c1-7-3-8-4-11(14)9(5-13)12(15-2)10(8)6-16-7/h4-5,7,14H,3,6H2,1-2H3/t7-/m0/s1
InChIKeyTYLXVDDUSIFWMY-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria (ncbitaxon:125369) - PubMed (30780165)
ChEBI Ontology
Outgoing Relation(s)
Sporulosaldein E (CHEBI:207552) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S)-6-hydroxy-8-methoxy-3-methyl-3,4-dihydro-1H-isochromene-7-carbaldehyde