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CHEBI:176070 - Citrusin B

ChEBI IDCHEBI:176070
ChEBI NameCitrusin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O13
Net Charge0
Average Mass568.572
Monoisotopic Mass568.21559
SMILESCOc1cc(C(O)C(CO)Oc2c(OC)cc(/C=C\CO)cc2OC)ccc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C27H36O13/c1-35-17-11-15(6-7-16(17)39-27-25(34)24(33)23(32)21(13-30)40-27)22(31)20(12-29)38-26-18(36-2)9-14(5-4-8-28)10-19(26)37-3/h4-7,9-11,20-25,27-34H,8,12-13H2,1-3H3/b5-4-
InChIKeyXMGKCJUCYBLMBY-PLNGDYQASA-N
ChEBI Ontology
Outgoing Relation(s)
Citrusin B (CHEBI:176070) is a glycoside (CHEBI:24400)
Citrusin B (CHEBI:176070) is a lignan (CHEBI:25036)
IUPAC Name 
2-[4-[1,3-dihydroxy-2-[4-[(Z)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0039231HMDB