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CHEBI:168007 - Moringyne

ChEBI IDCHEBI:168007
ChEBI NameMoringyne
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O7
Net Charge0
Average Mass312.318
Monoisotopic Mass312.12090
SMILESCc1cccc(C)c1C(=O)OC1OC(CO)C(O)C(O)C1O
WURCSWURCS=2.0/1,1,0/[axxxxh-1x_1-5_1*OC(CCCCCC$4/9)C(/5)C/3=O]/1/
InChIInChI=1S/C15H20O7/c1-7-4-3-5-8(2)10(7)14(20)22-15-13(19)12(18)11(17)9(6-16)21-15/h3-5,9,11-13,15-19H,6H2,1-2H3
InChIKeyQQHRYSLWMCEKRX-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)
Moringyne (CHEBI:168007) is a hexose (CHEBI:18133)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,6-dimethylbenzoate
Manual XrefsDatabases
HMDB0031724HMDB