EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178185 - Sudachiin B

ChEBI IDCHEBI:178185
ChEBI NameSudachiin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O17
Net Charge0
Average Mass666.585
Monoisotopic Mass666.17960
SMILESCOc1cc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)ccc1OC1OC(COC(=O)CC(C)(O)COC=O)C(O)C(O)C1O
InChIInChI=1S/C30H34O17/c1-30(39,11-43-12-31)9-19(33)44-10-18-21(34)23(36)24(37)29(47-18)46-15-6-5-13(7-17(15)40-2)16-8-14(32)20-22(35)27(41-3)25(38)28(42-4)26(20)45-16/h5-8,12,18,21,23-24,29,34-39H,9-11H2,1-4H3
InChIKeyPXSCZWOHLUQPMV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
Sudachiin B (CHEBI:178185) is a flavonoids (CHEBI:72544)
Sudachiin B (CHEBI:178185) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[4-(5,7-dihydroxy-6,8-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 4-ormyloxy-3-hydroxy-3-methylbutanoate
Manual XrefsDatabases
HMDB0039087HMDB