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CHEBI:169209 - Chrysosplenol C 6,4'-diglucoside

ChEBI IDCHEBI:169209
ChEBI NameChrysosplenol C 6,4'-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O18
Net Charge0
Average Mass684.600
Monoisotopic Mass684.19016
SMILESCOc1cc(-c2oc3cc(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c3c(=O)c2OC)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C30H36O18/c1-41-12-6-10(4-5-11(12)45-29-24(39)22(37)18(33)15(8-31)46-29)26-28(43-3)21(36)17-13(44-26)7-14(42-2)27(20(17)35)48-30-25(40)23(38)19(34)16(9-32)47-30/h4-7,15-16,18-19,22-25,29-35,37-40H,8-9H2,1-3H3/t15-,16?,18+,19+,22?,23-,24?,25?,29+,30-/m0/s1
InChIKeyFDCFULFSCKUVRP-QGTODHSKSA-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)
Chrysosplenol C 6,4'-diglucoside (CHEBI:169209) is a flavonoids (CHEBI:72544)
Chrysosplenol C 6,4'-diglucoside (CHEBI:169209) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-3,7-dimethoxy-2-[3-methoxy-4-[(2S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112935LIPID MAPS
24845532ChemSpider