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CHEBI:169469 - Kamahine C

ChEBI IDCHEBI:169469
ChEBI NameKamahine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESCC1=CC(=O)C2OC3(CC(C)C(O)O3)C1(O)C2(C)C
InChIInChI=1S/C14H20O5/c1-7-6-13(19-11(7)16)14(17)8(2)5-9(15)10(18-13)12(14,3)4/h5,7,10-11,16-17H,6H2,1-4H3
InChIKeyNKEIHMMKFOXWAO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Kamahine C (CHEBI:169469) is a ketal (CHEBI:59777)
IUPAC Name 
1,5'-dihydroxy-2,4',8,8-tetramethylspiro[6-oxabicyclo[3.2.1]oct-2-ene-7,2'-oxolane]-4-one
Manual XrefsDatabases
HMDB0038935HMDB
35014695ChemSpider