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CHEBI:169423 - Caryoptosidic acid

ChEBI IDCHEBI:169423
ChEBI NameCaryoptosidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O11
Net Charge0
Average Mass392.357
Monoisotopic Mass392.13186
SMILESCC1(O)C(O)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21
InChIInChI=1S/C16H24O11/c1-16(24)8(18)2-5-6(13(22)23)4-25-14(9(5)16)27-15-12(21)11(20)10(19)7(3-17)26-15/h4-5,7-12,14-15,17-21,24H,2-3H2,1H3,(H,22,23)
InChIKeyWAXHVHOTAZULHY-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)
Caryoptosidic acid (CHEBI:169423) is a glycoside (CHEBI:24400)
Caryoptosidic acid (CHEBI:169423) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
6,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Manual XrefsDatabases
HMDB0034249HMDB