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CHEBI:180773 - 2-Feruloyl-1,2'-disinapoylgentiobiose

ChEBI IDCHEBI:180773
ChEBI Name2-Feruloyl-1,2'-disinapoylgentiobiose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H50O22
Net Charge0
Average Mass930.862
Monoisotopic Mass930.27937
SMILESCOc1cc(/C=C/C(=O)OC2C(OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)OC(COC3OC(CO)C(O)C(O)C3OC(=O)/C=C/c3cc(OC)c(O)c(OC)c3)C(O)C2O)ccc1O
InChIInChI=1S/C44H50O22/c1-56-25-14-21(6-10-24(25)46)7-11-32(47)65-42-40(55)38(53)31(63-44(42)66-34(49)13-9-23-17-28(59-4)36(51)29(18-23)60-5)20-61-43-41(39(54)37(52)30(19-45)62-43)64-33(48)12-8-22-15-26(57-2)35(50)27(16-22)58-3/h6-18,30-31,37-46,50-55H,19-20H2,1-5H3/b11-7+,12-8+,13-9+
InChIKeyAZUSMVXIHUPOCX-UQYOVKQCSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
2-Feruloyl-1,2'-disinapoylgentiobiose (CHEBI:180773) has functional parent hydroxycinnamic acid (CHEBI:24689)
2-Feruloyl-1,2'-disinapoylgentiobiose (CHEBI:180773) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[[4,5-dihydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0030336HMDB