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CHEBI:226731 - Conoideoglucoside B

Default Structure
ChEBI IDCHEBI:226731
ChEBI NameConoideoglucoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24O7
Net Charge0
Average Mass364.394
Monoisotopic Mass364.15220
SMILESC=C(C)C#Cc1cc(CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]1O
InChIInChI=1S/C19H24O7/c1-11(2)4-6-13-8-12(9-20)5-7-14(13)25-19-17(23)16(22)18(24-3)15(10-21)26-19/h5,7-8,15-23H,1,9-10H2,2-3H3/t15-,16-,17-,18-,19-/m1/s1
InChIKeyHBIYUAWDVGGKPK-FVVUREQNSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.tet.2019.05.007)
ChEBI Ontology
Outgoing Relation(s)
Conoideoglucoside B (CHEBI:226731) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[4-(hydroxymethyl)-2-(3-methylbut-3-en-1-ynyl)phenoxy]-5-methoxyoxane-3,4-diol