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CHEBI:68136 - hydramacrophyllol A

ChEBI IDCHEBI:68136
ChEBI Namehydramacrophyllol A
Stars
DefinitionAn isobenzofuranone that is 2-benzofuran-1(3H)-one substituted by a hydroxy group at position 7 and a (S)-hydroxy(4-hydroxyphenyl)methyl group at position 3. It has been isolated from the roots of Scorzonera judaica.
Last Modified9 January 2014
DownloadsMolfile
FormulaC15H12O5
Net Charge0
Average Mass272.256
Monoisotopic Mass272.06847
SMILES[H][C@]1([C@@H](O)c2ccc(O)cc2)OC(=O)c2c(O)cccc21
InChIInChI=1S/C15H12O5/c16-9-6-4-8(5-7-9)13(18)14-10-2-1-3-11(17)12(10)15(19)20-14/h1-7,13-14,16-18H/t13-,14-/m0/s1
InChIKeyFADYYEHFGLVECU-KBPBESRZSA-N
Species of MetaboliteComponentSourceComments
Scorzonera judaica (ncbitaxon:895824-1) tuberous root (BTO:0001309) PubMed (21650157) Dried powdered roots
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
hydramacrophyllol A (CHEBI:68136) has role plant metabolite (CHEBI:76924)
hydramacrophyllol A (CHEBI:68136) is a isobenzofuranone (CHEBI:55372)
hydramacrophyllol A (CHEBI:68136) is a phenols (CHEBI:33853)
hydramacrophyllol A (CHEBI:68136) is a secondary alcohol (CHEBI:35681)
hydramacrophyllol A (CHEBI:68136) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3S)-7-hydroxy-3-[(S)-hydroxy(4-hydroxyphenyl)methyl]-2-benzofuran-1(3H)-one
Synonym  Source
(3S)-7-hydroxy-3-((S)-hydroxy(4-hydroxyphenyl)methyl)- isobenzofuran-1(3H)-oneChemIDplus
Registry NumbersSources
Reaxys:6959573Reaxys
CAS:157598-00-0ChemIDplus
Citations