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CHEBI:186794 - Haploside F

ChEBI IDCHEBI:186794
ChEBI NameHaploside F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O17
Net Charge0
Average Mass640.547
Monoisotopic Mass640.16395
SMILESCOc1cc(-c2oc3c(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C28H32O17/c1-8-16(32)20(36)23(39)27(41-8)45-26-21(37)17(33)14(7-29)43-28(26)42-13-6-11(31)15-19(35)22(38)24(44-25(15)18(13)34)9-3-4-10(30)12(5-9)40-2/h3-6,8,14,16-17,20-21,23,26-34,36-39H,7H2,1-2H3/t8?,14?,16-,17+,20-,21-,23?,26?,27-,28+/m0/s1
InChIKeyBMSUUXFONFVKHS-OMOKJNLVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Haploside F (CHEBI:186794) is a flavonoids (CHEBI:72544)
Haploside F (CHEBI:186794) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
24845737ChemSpider
LMPK12113206LIPID MAPS