CHEBI:169423 - Caryoptosidic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Caryoptosidic acid
ChEBI ID CHEBI:169423
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H24O11
Net Charge 0
Average Mass 392.357
Monoisotopic Mass 392.13186
InChI InChI=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)
InChIKey WAXHVHOTAZULHY-UHFFFAOYSA-N
SMILES OC1(C2C(CC1O)C(=COC2OC3OC(C(O)C(O)C3O)CO)C(O)=O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0034249 HMDB
View more database links