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CHEBI:172719 - Myricatomentoside I

ChEBI IDCHEBI:172719
ChEBI NameMyricatomentoside I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O10
Net Charge0
Average Mass504.532
Monoisotopic Mass504.19955
SMILESCOc1c2ccc(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CCCCC(=O)CCc1ccc(O)c(c1)O2
InChIInChI=1S/C26H32O10/c1-33-25-18-11-8-15(24(25)36-26-23(32)22(31)21(30)20(13-27)35-26)4-2-3-5-16(28)9-6-14-7-10-17(29)19(12-14)34-18/h7-8,10-12,20-23,26-27,29-32H,2-6,9,13H2,1H3/t20-,21-,22+,23-,26+/m1/s1
InChIKeyRALVCBWUWHJOGL-OPMJLWCUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Myricatomentoside I (CHEBI:172719) is a glycoside (CHEBI:24400)
Myricatomentoside I (CHEBI:172719) is a lignan (CHEBI:25036)
IUPAC Name 
4-hydroxy-17-methoxy-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one
Manual XrefsDatabases
8943158ChemSpider