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CHEBI:197161 - Cassiaside B

ChEBI IDCHEBI:197161
ChEBI NameCassiaside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O14
Net Charge0
Average Mass566.512
Monoisotopic Mass566.16356
SMILESCOc1cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(=O)cc(C)oc3cc2c1
InChIInChI=1S/C26H30O14/c1-10-3-13(28)18-14(38-10)5-11-4-12(35-2)6-15(17(11)20(18)30)39-24-22(32)21(31)19(29)16(40-24)7-36-25-23(33)26(34,8-27)9-37-25/h3-6,16,19,21-25,27,29-34H,7-9H2,1-2H3/t16-,19-,21+,22-,23+,24-,25-,26-/m1/s1
InChIKeyNIVCJAYDAMQSJO-PAMAHNMISA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Cassiaside B (CHEBI:197161) is a benzochromenone (CHEBI:64986)
Cassiaside B (CHEBI:197161) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[g]chromen-4-one
Manual XrefsDatabases
103884341ChemSpider