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CHEBI:179856 - Coccinoside B

ChEBI IDCHEBI:179856
ChEBI NameCoccinoside B
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FormulaC21H22O11
Net Charge0
Average Mass450.396
Monoisotopic Mass450.11621
SMILESO=C1CC(c2cc(O)ccc2O)Oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c21
InChIInChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)10-3-8(23)1-2-11(10)24/h1-5,14,16,18-25,27-29H,6-7H2/t14?,16?,18-,19+,20?,21-/m1/s1
InChIKeyYQTWPPLBGYVRIV-XIXRQGLNSA-N
ChEBI Ontology
Outgoing Relation(s)
Coccinoside B (CHEBI:179856) is a flavonoids (CHEBI:72544)
Coccinoside B (CHEBI:179856) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(2,5-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
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LMPK12140109LIPID MAPS
24846278ChemSpider