EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200875 - Malettinin B

ChEBI IDCHEBI:200875
ChEBI NameMalettinin B
Stars
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-HKBFDHSMSA-N
ChEBI Ontology
Outgoing Relation(s)
Malettinin B (CHEBI:200875) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
(2S,3R,3'R,4'R)-3',7-dihydroxy-3,4',5-trimethylspiro[3,4-dihydrocyclohepta[b]pyran-2,2'-oxolane]-8-one
Manual XrefsDatabases
9498742ChemSpider