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CHEBI:182542 - (2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one

ChEBI IDCHEBI:182542
ChEBI Name(2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESC=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3ccc(O)c(OC)c3)O[C@]2(OC)CC1=O
InChIInChI=1S/C21H26O6/c1-6-7-15-11-20(25-4)13(2)19(27-21(20,26-5)12-17(15)23)14-8-9-16(22)18(10-14)24-3/h6,8-11,13,19,22H,1,7,12H2,2-5H3/t13-,19+,20+,21-/m1/s1
InChIKeyZJCOLWRTVHBIBE-MZNUGIIHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one (CHEBI:182542) is a methoxybenzenes (CHEBI:51683)
(2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one (CHEBI:182542) is a phenols (CHEBI:33853)
IUPAC Name 
(2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzouran-6-one
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