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CHEBI:190868 - Camellianin A

ChEBI IDCHEBI:190868
ChEBI NameCamellianin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O15
Net Charge0
Average Mass620.560
Monoisotopic Mass620.17412
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C29H32O15/c1-11-22(34)23(35)25(37)28(40-11)44-27-20(10-39-12(2)30)43-29(26(38)24(27)36)42-19-8-15(32)7-18-21(19)16(33)9-17(41-18)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24+,25+,26+,27+,28-,29+/m0/s1
InChIKeyRHJULGLSOARXMO-YXRGHUGASA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Camellianin A (CHEBI:190868) is a flavonoids (CHEBI:72544)
Camellianin A (CHEBI:190868) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
4589325ChemSpider
Registry NumbersSources
CAS:109232-77-1ChemIDplus