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CHEBI:168299 - Gladiatoside C2

ChEBI IDCHEBI:168299
ChEBI NameGladiatoside C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H26O12
Net Charge0
Average Mass566.515
Monoisotopic Mass566.14243
SMILESCOc1ccccc1C(=O)O[C@H]1[C@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2)O[C@@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C29H26O12/c1-13-22(32)24(34)27(41-28(36)17-5-3-4-6-19(17)37-2)29(38-13)39-16-11-18(31)21-20(12-16)40-26(25(35)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,24,27,29-32,34-35H,1-2H3/t13-,22-,24+,27+,29-/m0/s1
InChIKeyLEIRBJWWXASKQN-SBCOBMDLSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Gladiatoside C2 (CHEBI:168299) is a flavonoids (CHEBI:72544)
Gladiatoside C2 (CHEBI:168299) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,4R,5R,6S)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 2-methoxybenzoate
Manual XrefsDatabases
8944628ChemSpider