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CHEBI:168407 - Myricanol 5-beta-sophoroside

ChEBI IDCHEBI:168407
ChEBI NameMyricanol 5-beta-sophoroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O15
Net Charge0
Average Mass682.716
Monoisotopic Mass682.28367
SMILESCOc1c2cc(c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
InChIInChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3
InChIKeyMWHPGFTUVBRCFT-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-beta-sophoroside (CHEBI:168407) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[[6-[(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]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036529HMDB