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CHEBI:177949 - Isorhamnetin 3-sambubioside

ChEBI IDCHEBI:177949
ChEBI NameIsorhamnetin 3-sambubioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)ccc1O
InChIInChI=1S/C27H30O16/c1-38-14-4-9(2-3-11(14)30)23-24(20(35)17-12(31)5-10(29)6-15(17)40-23)42-27-25(21(36)19(34)16(7-28)41-27)43-26-22(37)18(33)13(32)8-39-26/h2-6,13,16,18-19,21-22,25-34,36-37H,7-8H2,1H3/t13-,16?,18?,19-,21?,22-,25?,26+,27+/m1/s1
InChIKeyYAZLWFHAKRXSJO-PYBYPDFBSA-N
Species of MetaboliteComponentSourceComments
Bombyx mori (ncbitaxon:7091) hemolymph (BTO:0000572) MetaboLights (MTBLS3247)
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-sambubioside (CHEBI:177949) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-sambubioside (CHEBI:177949) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Manual XrefsDatabases
24843613ChemSpider
LMPK12110578LIPID MAPS