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CHEBI:197231 - Longicaudatin

ChEBI IDCHEBI:197231
ChEBI NameLongicaudatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H22O7
Net Charge0
Average Mass446.455
Monoisotopic Mass446.13655
SMILESCOC(=O)c1ccc(O)c(-c2cc3c(OC)cc(O)c(C(=O)CCc4ccccc4)c3o2)c1
InChIInChI=1S/C26H22O7/c1-31-22-14-21(29)24(20(28)10-8-15-6-4-3-5-7-15)25-18(22)13-23(33-25)17-12-16(26(30)32-2)9-11-19(17)27/h3-7,9,11-14,27,29H,8,10H2,1-2H3
InChIKeyDDPIFFIZEVATBM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Longicaudatin (CHEBI:197231) is a benzofurans (CHEBI:35259)
IUPAC Name 
methyl 4-hydroxy-3-[6-hydroxy-4-methoxy-7-(3-phenylpropanoyl)-1-benzouran-2-yl]benzoate
Manual XrefsDatabases
LMPK12120479LIPID MAPS
8202140ChemSpider