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CHEBI:184831 - 3,4,5-trihydroxy-6-{2-[(3-methylbut-2-enoyl)oxy]-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:184831
ChEBI Name3,4,5-trihydroxy-6-{2-[(3-methylbut-2-enoyl)oxy]-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O14
Net Charge0
Average Mass618.588
Monoisotopic Mass618.19486
SMILESCC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(COC1OC(C(=O)O)C(O)C(O)C1O)OC(=O)C=C(C)C
InChIInChI=1S/C30H34O14/c1-13(2)10-18(32)42-25-20-16(8-6-15-7-9-17(31)41-24(15)20)40-27(25)30(5,44-19(33)11-14(3)4)12-39-29-23(36)21(34)22(35)26(43-29)28(37)38/h6-11,21-23,25-27,29,34-36H,12H2,1-5H3,(H,37,38)
InChIKeyNINKPIHNOOQXAA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{2-[(3-methylbut-2-enoyl)oxy]-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy}oxane-2-carboxylic acid (CHEBI:184831) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
3,4,5-trihydroxy-6-[2-(3-methylbut-2-enoyloxy)-2-[9-(3-methylbut-2-enoyloxy)-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl]propoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128923HMDB