CHEBI:68136 - hydramacrophyllol A

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ChEBI Name hydramacrophyllol A
ChEBI ID CHEBI:68136
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H12O5
Net Charge 0
Average Mass 272.25280
Monoisotopic Mass 272.06847
InChI InChI=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
InChIKey FADYYEHFGLVECU-KBPBESRZSA-N
SMILES O[C@H]([C@H]1OC(=O)c2c1cccc2O)c1ccc(O)cc1
Metabolite of Species Details
Scorzonera judaica (NCBI:txid895824-1) Found in tuberous root (BTO:0001309). Dried powdered roots See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hydramacrophyllol A (CHEBI:68136) has role plant metabolite (CHEBI:76924)
hydramacrophyllol A (CHEBI:68136) is a γ-lactone (CHEBI:37581)
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)
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)-one ChemIDplus
Registry Numbers Types Sources
157598-00-0 CAS Registry Number ChemIDplus
6959573 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21650157 PubMed citation Europe PMC
Last Modified
09 January 2014