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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:53627 - agatharesinol
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ChEBI Ontology
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ChEBI Name
agatharesinol
ChEBI ID
CHEBI:53627
Definition
A major heartwood norlignan characterised by a core
trans
-3-
p
-hydroxyphenyl-1-phenylpropene structural unit.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H18O4
Net Charge
0
Average Mass
286.32240
Monoisotopic Mass
286.12051
InChI
InChI=1S/C17H18O4/c18-
11-
17(21)
16(13-
4-
8-
15(20)
9-
5-
13)
10-
3-
12-
1-
6-
14(19)
7-
2-
12/h1-
10,16-
21H,11H2/b10-
3+/t16-
,17+/m0/s1
InChIKey
DVUXXXYVVWRAIA-UDEVJOAWSA-N
SMILES
OC[C@@H](O)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)cc1
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.
(via
norlignan
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
agatharesinol (
CHEBI:53627
)
is a
norlignan (
CHEBI:53629
)
Incoming
sequirin C (
CHEBI:53644
)
has functional parent
agatharesinol (
CHEBI:53627
)
sugiresinol (
CHEBI:53645
)
has functional parent
agatharesinol (
CHEBI:53627
)
IUPAC Name
(2
S
,3
S
,4
E
)-3,5-bis(4-hydroxyphenyl)pent-4-ene-1,2-diol
Registry Number
Type
Source
2336768
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11371016
PubMed citation
Europe PMC
11684179
PubMed citation
Europe PMC
12052511
PubMed citation
Europe PMC
16473652
PubMed citation
Europe PMC
16884819
PubMed citation
Europe PMC
17169901
PubMed citation
Europe PMC
17191998
PubMed citation
Europe PMC
23157009
PubMed citation
Europe PMC
IND43625572
Agricola citation
Europe PMC
IND43788726
Agricola citation
Europe PMC
IND43826632
Agricola citation
Europe PMC
Last Modified
06 August 2013