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CHEBI:169120 - Myricanol 5-glucoside

ChEBI IDCHEBI:169120
ChEBI NameMyricanol 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O10
Net Charge0
Average Mass520.575
Monoisotopic Mass520.23085
SMILESCOc1c2cc(c(OC3OC(CO)C(O)C(O)C3O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
InChIInChI=1S/C27H36O10/c1-34-25-18-12-15(5-3-4-6-16(29)9-7-14-8-10-19(30)17(18)11-14)24(26(25)35-2)37-27-23(33)22(32)21(31)20(13-28)36-27/h8,10-12,16,20-23,27-33H,3-7,9,13H2,1-2H3
InChIKeyNPSYWDNXSMBWKP-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)
Myricanol 5-glucoside (CHEBI:169120) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[(11,17-dihydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036525HMDB