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CHEBI:168722 - Portuloside A

ChEBI IDCHEBI:168722
ChEBI NamePortuloside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O7
Net Charge0
Average Mass330.377
Monoisotopic Mass330.16785
SMILESC=CC(C)(CCC(=O)C(=C)C)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H26O7/c1-5-16(4,7-6-10(18)9(2)3)23-15-14(21)13(20)12(19)11(8-17)22-15/h5,11-15,17,19-21H,1-2,6-8H2,3-4H3
InChIKeyNERFSSPHKJBXKV-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)
Portuloside A (CHEBI:168722) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2,6-dimethyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-1,7-dien-3-one
Manual XrefsDatabases
HMDB0031382HMDB