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CHEBI:169347 - (+)-Myristinin A

ChEBI IDCHEBI:169347
ChEBI Name(+)-Myristinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O7
Net Charge0
Average Mass548.676
Monoisotopic Mass548.27740
SMILES[H][C@@]1(c2c(O)cc(O)c(C(=O)CCCCCCCCCCC)c2O)C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C33H40O7/c1-2-3-4-5-6-7-8-9-10-11-26(36)32-28(38)20-27(37)31(33(32)39)25-19-29(21-12-14-22(34)15-13-21)40-30-18-23(35)16-17-24(25)30/h12-18,20,25,29,34-35,37-39H,2-11,19H2,1H3/t25-,29+/m1/s1
InChIKeyJGXZVDAPLSTBGZ-IRPSRAIASA-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)
(+)-Myristinin A (CHEBI:169347) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
1-[2,4,6-trihydroxy-3-[(2S,4R)-7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
Manual XrefsDatabases
435445ChemSpider
LMPK12020229LIPID MAPS