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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:9443 - tephrowatsin A
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ChEBI Name
tephrowatsin A
ChEBI ID
CHEBI:9443
Definition
A hydroxyflavan that is (2
S
)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C22H26O4
Net Charge
0
Average Mass
354.43940
Monoisotopic Mass
354.18311
InChI
InChI=1S/C22H26O4/c1-
14(2)
10-
11-
16-
19(24-
3)
13-
20(25-
4)
21-
17(23)
12-
18(26-
22(16)
21)
15-
8-
6-
5-
7-
9-
15/h5-
10,13,17-
18,23H,11-
12H2,1-
4H3/t17-
,18+/m1/s1
InChIKey
ADIMMCHZVYYGPW-MSOLQXFVSA-N
SMILES
COc1cc(OC)c2[C@H](O)C[C@H](Oc2c1CC=C(C)C)c1ccccc1
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
tephrowatsin A (
CHEBI:9443
)
has parent hydride
(2
S
)-flavan (
CHEBI:36103
)
tephrowatsin A (
CHEBI:9443
)
has role
plant metabolite (
CHEBI:76924
)
tephrowatsin A (
CHEBI:9443
)
is a
hydroxyflavan (
CHEBI:72010
)
tephrowatsin A (
CHEBI:9443
)
is a
methoxyflavan (
CHEBI:72585
)
IUPAC Name
(2
S
,4
R
)-
5,7-
dimethoxy-
8-
(3-
methylbut-
2-
en-
1-
yl)-
2-
phenyl-
3,4-
dihydro-
2
H
-
chromen-
4-
ol
Synonym
Source
(2
S
,4
R
)-
5,7-
dimethoxy-
8-
(3-
methylbut-
2-
en-
1-
yl)-
2-
phenyl-
3,4-
dihydro-
2
H
-
1-
benzopyran-
4-
ol
IUPAC
Manual Xrefs
Databases
C00001009
KNApSAcK
C09970
KEGG COMPOUND
LMPK12020160
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
6575448
Reaxys Registry Number
Reaxys
97640-79-4
CAS Registry Number
KEGG COMPOUND
Last Modified
02 June 2015