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CHEBI:175196 - Isoyatein

ChEBI IDCHEBI:175196
ChEBI NameIsoyatein
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FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESCOc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)6-15-11-27-22(23)16(15)7-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyHHRGVAZECZEYPH-JKSUJKDBSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoyatein (CHEBI:175196) is a lignan (CHEBI:25036)
IUPAC Name 
(3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Manual XrefsDatabases
8962466ChemSpider