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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:53645 - sugiresinol
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ChEBI Name
sugiresinol
ChEBI ID
CHEBI:53645
Definition
A norlignan that is an isomer of agatharesinol in which the dihydroxypentene side chain is cyclised.
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-
13-
5-
1-
11(2-
6-
13)
15-
9-
17(21-
10-
16(15)
20)
12-
3-
7-
14(19)
8-
4-
12/h1-
8,15-
20H,9-
10H2/t15-
,16+,17+/m0/s1
InChIKey
JQRWWSPNQHLXDY-GVDBMIGSSA-N
SMILES
O[C@@H]1CO[C@H](C[C@H]1c1ccc(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
sugiresinol (
CHEBI:53645
)
has functional parent
agatharesinol (
CHEBI:53627
)
sugiresinol (
CHEBI:53645
)
is a
norlignan (
CHEBI:53629
)
Incoming
hydroxysugiresinol (
CHEBI:53646
)
has functional parent
sugiresinol (
CHEBI:53645
)
IUPAC Name
(1
R
)-1,5-anhydro-2,3-dideoxy-1,3-bis(4-hydroxyphenyl)-
D
-
threo
-pentitol
Synonyms
Sources
(−)-sugiresinol
ChEBI
(3
S
)-tetrahydro-4α,6α-bis(4-hydroxyphenyl)-2
H
-pyran-3-ol
ChEBI
sequirin A
ChEBI
sequirin-A
ChEBI
Registry Number
Type
Source
33909
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11684179
PubMed citation
Europe PMC
14993761
PubMed citation
Europe PMC
15369328
PubMed citation
Europe PMC
17191998
PubMed citation
Europe PMC
Last Modified
06 August 2013