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CHEBI:168534 - (3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside

ChEBI IDCHEBI:168534
ChEBI Name(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O8
Net Charge0
Average Mass494.625
Monoisotopic Mass494.28797
SMILESCCOC1CC2C(C)(CCC3(C)CCC4(C(C)C)OC234)C(OC2OCC(O)C(O)C2O)C=C1C=O
InChIInChI=1S/C27H42O8/c1-6-32-18-12-19-25(5,9-7-24(4)8-10-26(15(2)3)27(19,24)35-26)20(11-16(18)13-28)34-23-22(31)21(30)17(29)14-33-23/h11,13,15,17-23,29-31H,6-10,12,14H2,1-5H3
InChIKeyBYPNJSRSMGYEOF-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)
(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside (CHEBI:168534) is a diterpenoid (CHEBI:23849)
IUPAC Name 
14-ethoxy-7,10-dimethyl-4-propan-2-yl-11-(3,4,5-trihydroxyoxan-2-yl)oxy-3-oxatetracyclo[8.5.0.02,4.02,7]pentadec-12-ene-13-carbaldehyde
Manual XrefsDatabases
HMDB0034617HMDB