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CHEBI:177930 - 6-{[10-butanoyl-3-hydroxy-6-(2-hydroxypropyl)-2,2-dimethyl-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:177930
ChEBI Name6-{[10-butanoyl-3-hydroxy-6-(2-hydroxypropyl)-2,2-dimethyl-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O13
Net Charge0
Average Mass566.556
Monoisotopic Mass566.19994
SMILESCCCC(=O)c1c2c(c(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(CC(C)O)cc(=O)oc13)CC(O)C(C)(C)O2
InChIInChI=1S/C27H34O13/c1-5-6-13(29)17-22-12(9-14(30)27(3,4)40-22)21(16-11(7-10(2)28)8-15(31)37-23(16)17)38-26-20(34)18(32)19(33)24(39-26)25(35)36/h8,10,14,18-20,24,26,28,30,32-34H,5-7,9H2,1-4H3,(H,35,36)
InChIKeyVUNAPJYICGLTIM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) Article
ChEBI Ontology
Outgoing Relation(s)
6-{[10-butanoyl-3-hydroxy-6-(2-hydroxypropyl)-2,2-dimethyl-8-oxo-2H,3H,4H,8H-pyrano[3,2-g]chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:177930) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[[10-butanoyl-3-hydroxy-6-(2-hydroxypropyl)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130103HMDB