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CHEBI:17465 - phaseollidin hydrate

ChEBI IDCHEBI:17465
ChEBI Namephaseollidin hydrate
Stars
DefinitionA member of the class of pterocarpans that is phaseollidin in which the prenyl group is replaced by a 3-hydroxy-3-methylbutyl group.
Secondary ChEBI IDsCHEBI:8045, CHEBI:14775, CHEBI:25949
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
SMILES[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c2ccc(O)c1CCC(C)(C)O
InChIInChI=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
InChIKeyKSSHIKBOZWMDTR-KXBFYZLASA-N
Roles Classification
Biological Role:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
Phaseollidin hydrateKEGG COMPOUND
UniProt Name  Source
phaseollidin hydrateUniProt
Manual XrefsDatabases
C05229KEGG COMPOUND
C05229KEGG COMPOUND