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CHEBI:186120 - Myricanene B 5-[arabinosyl-(1->6)-glucoside]

ChEBI IDCHEBI:186120
ChEBI NameMyricanene B 5-[arabinosyl-(1->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O13
Net Charge0
Average Mass634.675
Monoisotopic Mass634.26254
SMILESCOc1c2cc(c(OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)c1OC)CCCC/C=C/Cc1ccc(O)c-2c1
InChIInChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h4,6,10-13,21-27,31-39H,3,5,7-9,14-15H2,1-2H3/b6-4+
InChIKeyCKGPMQKYPJTHRX-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Myricanene B 5-[arabinosyl-(1->6)-glucoside] (CHEBI:186120) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(11E)-17-hydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),11,14(18),15-heptaenyl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0039348HMDB