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CHEBI:186600 - Herbacetin 8-(2'',3''-diacetylxyloside)

ChEBI IDCHEBI:186600
ChEBI NameHerbacetin 8-(2'',3''-diacetylxyloside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O13
Net Charge0
Average Mass518.427
Monoisotopic Mass518.10604
SMILESCC(=O)OC1[C@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)OC[C@@H](O)[C@@H]1OC(C)=O
InChIInChI=1S/C24H22O13/c1-9(25)34-21-15(30)8-33-24(23(21)35-10(2)26)37-20-14(29)7-13(28)16-17(31)18(32)19(36-22(16)20)11-3-5-12(27)6-4-11/h3-7,15,21,23-24,27-30,32H,8H2,1-2H3/t15-,21+,23?,24+/m1/s1
InChIKeyXISTWCWMRYYNJX-YBFITTCSSA-N
Species of MetaboliteComponentSourceComments
Nitrosopumilus maritimus str. SCM1 (ncbitaxon:436308) cell culture (BTO:0000214) MetaboLights (MTBLS3714)
ChEBI Ontology
Outgoing Relation(s)
Herbacetin 8-(2'',3''-diacetylxyloside) (CHEBI:186600) is a flavonoids (CHEBI:72544)
Herbacetin 8-(2'',3''-diacetylxyloside) (CHEBI:186600) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,4S,5R)-3-acetyloxy-5-hydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate
Manual XrefsDatabases
LMPK12113137LIPID MAPS
24845681ChemSpider