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CHEBI:169085 - Riboflavine 2',3',4',5'-tetrabutanoate

ChEBI IDCHEBI:169085
ChEBI NameRiboflavine 2',3',4',5'-tetrabutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44N4O10
Net Charge0
Average Mass656.733
Monoisotopic Mass656.30574
SMILESCCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(Cn1c2nc(=O)nc(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC
InChIInChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)
InChIKeyMJNIWUJSIGSWKK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Riboflavine 2',3',4',5'-tetrabutanoate (CHEBI:169085) is a flavin (CHEBI:30527)
IUPAC Name 
[2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate
Manual XrefsDatabases
4889ChemSpider
HMDB0034433HMDB