CHEBI:50118 - (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan

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ChEBI Name (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan ChEBI ID CHEBI:50118 ChEBI ASCII Name (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan Definition A member of the class of pterocarpans that is (6aS,11aS)-3,6a,9-trihydroxypterocarpan in which the hydrogen atom at position 2 is substituted by a 3-methylbut-2-en-1-yl group. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H20O5 Net Charge 0 Average Mass 340.36980 Monoisotopic Mass 340.13107 InChI InChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1 InChIKey TUXXPRXOVFCNPC-VQTJNVASSA-N SMILES [H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1cc(O)c(CC=C(C)C)cc21 ChEBI Ontology Outgoing (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50118) has functional parent 3,6,9-trihydroxypterocarpan (CHEBI:15649) (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50118) is a phenols (CHEBI:33853) (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50118) is a pterocarpans (CHEBI:26377) (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan (CHEBI:50118) is a tertiary alcohol (CHEBI:26878) IUPAC Name (6aS,11aS)-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,9(11aH)-triol Synonyms Sources (+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan MetaCyc (6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan UniProt 2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan KEGG COMPOUND 2-dimethylallylglycinol ChEBI Glyceocarpin KEGG COMPOUND pterocarpan glyceocarpin ChEBI Manual Xrefs Databases C00009688 KNApSAcK C15509 KEGG COMPOUND CPD-4404 MetaCyc View more database links Registry Numbers Types Sources 7388960 Reaxys Registry Number Reaxys 77979-22-7 CAS Registry Number KEGG COMPOUND Citation Type Source 10956166 PubMed citation Europe PMC Last Modified 12 August 2015