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CHEBI:218661 - Malletenin E

ChEBI IDCHEBI:218661
ChEBI NameMalletenin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O5
Net Charge0
Average Mass292.331
Monoisotopic Mass292.13107
SMILESCc1cc(O)c(=O)cc2c1C[C@@H](C)[C@@]1(OC[C@@H](C)[C@@H]1O)O2
InChIInChI=1S/C16H20O5/c1-8-4-12(17)13(18)6-14-11(8)5-10(3)16(21-14)15(19)9(2)7-20-16/h4,6,9-10,15,19H,5,7H2,1-3H3,(H,17,18)/t9-,10-,15+,16-/m1/s1
InChIKeyPLRNIDHEWWILCN-VNWXUBODSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (28333084)
ChEBI Ontology
Outgoing Relation(s)
Malletenin E (CHEBI:218661) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(2R,3R,3'S,4'R)-3',7-dihydroxy-3,4',5-trimethylspiro[3,4-dihydrocyclohepta[b]pyran-2,2'-oxolane]-8-one
Manual XrefsDatabases
61708440ChemSpider