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CHEBI:172639 - Hemiariensin

ChEBI IDCHEBI:172639
ChEBI NameHemiariensin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESCC(=O)OCC(Cc1ccc2c(c1)OCO2)C(CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24O7/c1-14(24)25-11-18(7-16-3-5-20-22(9-16)29-13-27-20)17(10-23)6-15-2-4-19-21(8-15)28-12-26-19/h2-5,8-9,17-18,23H,6-7,10-13H2,1H3
InChIKeyZSECDNBADLTTJC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Hemiariensin (CHEBI:172639) is a lignan (CHEBI:25036)
IUPAC Name 
[2,3-bis(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutyl] acetate
Manual XrefsDatabases
35013095ChemSpider
HMDB0029869HMDB