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CHEBI:175979 - Citrusin A

ChEBI IDCHEBI:175979
ChEBI NameCitrusin A
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SubmitterMetaboLights
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FormulaC26H34O12
Net Charge0
Average Mass538.546
Monoisotopic Mass538.20503
SMILESCOc1cc(/C=C/CO)ccc1OC(CO)C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
InChIInChI=1S/C26H34O12/c1-34-18-10-14(4-3-9-27)5-7-16(18)36-20(12-28)22(30)15-6-8-17(19(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20?,21-,22?,23-,24+,25-,26-/m1/s1
InChIKeyWHKMPWQXESJAPI-DTFCWUHSSA-N
ChEBI Ontology
Outgoing Relation(s)
Citrusin A (CHEBI:175979) is a glycoside (CHEBI:24400)
Citrusin A (CHEBI:175979) is a lignan (CHEBI:25036)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[4-[1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol