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CHEBI:178113 - (7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside

ChEBI IDCHEBI:178113
ChEBI Name(7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O11
Net Charge0
Average Mass520.531
Monoisotopic Mass520.19446
SMILESCOc1cc(C2Oc3c(OC)cc(/C=C\CO)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C26H32O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h3-6,8-10,16,20-24,26-32H,7,11-12H2,1-2H3/b4-3-
InChIKeySPWHQAUMLDQOFU-ARJAWSKDSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
(7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside (CHEBI:178113) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-(hydroxymethyl)-6-[4-[3-(hydroxymethyl)-5-[(Z)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzouran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0040636HMDB