CHEBI:182204 - 4-Hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one

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ChEBI Name 4-Hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one
ChEBI ID CHEBI:182204
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O8
Net Charge 0
Average Mass 400.383
Monoisotopic Mass 400.11582
InChI InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3
InChIKey JGGWNGRBXJWAOC-UHFFFAOYSA-N
SMILES O1CC2C(C(C=3C(C2)=C(O)C=4OCOC4C3)C5=CC(OC)=C(O)C(OC)=C5)C1=O
ChEBI Ontology
Outgoing 4-Hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one (CHEBI:182204) is a lactone (CHEBI:25000)
4-Hydroxy-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one (CHEBI:182204) is a lignan (CHEBI:25036)
IUPAC Name
4-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzouro[5,6-][1,3]benzodioxol-8-one
Manual Xref Database
437575 ChemSpider
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