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ChEBI
> Main
CHEBI:4553 - dihydroanhydropodorhizol
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ChEBI Ontology
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ChEBI Name
dihydroanhydropodorhizol
ChEBI ID
CHEBI:4553
Definition
A 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.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H24O7
Net Charge
0
Average Mass
400.423
Monoisotopic Mass
400.15220
InChI
InChI=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
InChIKey
GMLDZDDTZKXJLU-JKSUJKDBSA-N
SMILES
[C@H]1([C@@H](CC2=CC3=C(OCO3)C=C2)COC1=O)CC4=CC(=C(OC)C(=C4)OC)OC
Metabolite of Species
Details
Austrocedrus chilensis
(NCBI:txid103964)
See:
PubMed
Chamaecyparis obtusa
(NCBI:txid13415)
See:
PubMed
Anthriscus sylvestris
(NCBI:txid48027)
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
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
(3
R
,4
R
)-
4-
[(2
H
-
1,3-
benzodioxol-
5-
yl)methyl]-
3-
[(3,4,5-
trimethoxyphenyl)methyl]oxolan-
2-
one
Synonyms
Sources
(−)-yatein
UniProt
(-)-Deoxypodorhizone
KNApSAcK
Yatein
KNApSAcK
Manual Xrefs
Databases
C00002598
KNApSAcK
C10557
KEGG COMPOUND
CPD-17595
MetaCyc
View more database links
Registry Numbers
Types
Sources
40456-50-6
CAS Registry Number
KEGG COMPOUND
40456-50-6
CAS Registry Number
ChemIDplus
40456-50-6
CAS Registry Number
NIST Chemistry WebBook
4300660
Reaxys Registry Number
Reaxys
Citations
Types
Sources
12956064
PubMed citation
Europe PMC
16540181
PubMed citation
Europe PMC
25420758
PubMed citation
Europe PMC
26091020
PubMed citation
Europe PMC
Last Modified
11 January 2016