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CHEBI:172799 - Myricanol 5-laminaribioside

ChEBI IDCHEBI:172799
ChEBI NameMyricanol 5-laminaribioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O15
Net Charge0
Average Mass682.716
Monoisotopic Mass682.28367
SMILESCOc1c2cc(c(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
InChIInChI=1S/C33H46O15/c1-43-29-19-12-16(5-3-4-6-17(36)9-7-15-8-10-20(37)18(19)11-15)28(31(29)44-2)47-33-27(42)30(24(39)22(14-35)46-33)48-32-26(41)25(40)23(38)21(13-34)45-32/h8,10-12,17,21-27,30,32-42H,3-7,9,13-14H2,1-2H3
InChIKeyXMKXFSLOVIEGBT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Myricanol 5-laminaribioside (CHEBI:172799) is a biphenyls (CHEBI:22888)
IUPAC Name 
2-[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]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036528HMDB