CHEBI:17465 - phaseollidin hydrate

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ChEBI Name phaseollidin hydrate ChEBI ID CHEBI:17465 Definition A member of the class of pterocarpans that is phaseollidin in which the prenyl group is replaced by a 3-hydroxy-3-methylbutyl group. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:8045, CHEBI:14775, CHEBI:25949 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 C20H22O5 Net Charge 0 Average Mass 342.38568 Monoisotopic Mass 342.14672 InChI InChI=1S/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3/t15-,19-/m0/s1 InChIKey KSSHIKBOZWMDTR-KXBFYZLASA-N SMILES [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c(CCC(C)(C)O)c(O)ccc21 Roles Classification Biological Role(s): phytoalexin A toxin made by a plant that acts against an organism attacking it. View more via ChEBI Ontology ChEBI Ontology Outgoing phaseollidin hydrate (CHEBI:17465) has functional parent phaseollidin (CHEBI:17556) phaseollidin hydrate (CHEBI:17465) has role phytoalexin (CHEBI:26115) phaseollidin hydrate (CHEBI:17465) is a pterocarpans (CHEBI:26377) IUPAC Name (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol Synonyms Sources Phaseollidin hydrate KEGG COMPOUND phaseollidin hydrate UniProt Manual Xref Database C05229 KEGG COMPOUND View more database links Last Modified 13 November 2017