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CHEBI:4553 - dihydroanhydropodorhizol

ChEBI IDCHEBI:4553
ChEBI Namedihydroanhydropodorhizol
Stars
DefinitionA member of the class of butan-4-olides carrying 3,4,5-trimethoxybenzyl and (1,3-benzodioxol-5-yl)methyl substituents at positions 3 and 4 respectively.
Last Modified11 January 2016
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESCOc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC
InChIInChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyGMLDZDDTZKXJLU-JKSUJKDBSA-N
Species of MetaboliteComponentSourceComments
Anthriscus sylvestris (ncbitaxon:48027) - PubMed (12956064)
Austrocedrus chilensis (ncbitaxon:103964) - PubMed (25420758)
Chamaecyparis obtusa (ncbitaxon:13415) - PubMed (16540181)
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)
dihydroanhydropodorhizol (CHEBI:4553) has role plant metabolite (CHEBI:76924)
dihydroanhydropodorhizol (CHEBI:4553) is a benzodioxoles (CHEBI:38298)
dihydroanhydropodorhizol (CHEBI:4553) is a butan-4-olide (CHEBI:22950)
dihydroanhydropodorhizol (CHEBI:4553) is a lignan (CHEBI:25036)
dihydroanhydropodorhizol (CHEBI:4553) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(3R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Synonyms  Source
(-)-DeoxypodorhizoneKNApSAcK
YateinKNApSAcK
UniProt Name  Source
(−)-yateinUniProt
Manual XrefsDatabases
C10557KEGG COMPOUND
C00002598KNApSAcK
CPD-17595MetaCyc
Registry NumbersSources
Reaxys:4300660Reaxys
CAS:40456-50-6KEGG COMPOUND
CAS:40456-50-6ChemIDplus
CAS:40456-50-6NIST Chemistry WebBook
Citations