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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:77049 - (
R
,
R
)-pavine
Main
ChEBI Ontology
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ChEBI Name
(
R
,
R
)-pavine
ChEBI ID
CHEBI:77049
ChEBI ASCII Name
(R,R)-pavine
Definition
The (
R
,
R
)-enantiomer of pavine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H23NO4
Net Charge
0
Average Mass
341.40090
Monoisotopic Mass
341.16271
InChI
InChI=1S/C20H23NO4/c1-
22-
17-
7-
11-
5-
15-
14-
10-
20(25-
4)
18(23-
2)
8-
12(14)
6-
16(21-
15)
13(11)
9-
19(17)
24-
3/h7-
10,15-
16,21H,5-
6H2,1-
4H3/t15-
,16-
/m1/s1
InChIKey
SRSPZLZVGPJHJH-HZPDHXFCSA-N
SMILES
COc1cc2C[C@H]3N[C@H](Cc4cc(OC)c(OC)cc34)c2cc1OC
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
R
,
R
)-pavine (
CHEBI:77049
)
is a
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[
a,e
][8]annulene (
CHEBI:77051
)
(
R
,
R
)-pavine (
CHEBI:77049
)
is enantiomer of
(
S
,
S
)-pavine (
CHEBI:77050
)
Incoming
pavine (
CHEBI:77048
)
has part
(
R
,
R
)-pavine (
CHEBI:77049
)
(
S
,
S
)-pavine (
CHEBI:77050
)
is enantiomer of
(
R
,
R
)-pavine (
CHEBI:77049
)
IUPAC Name
(5
R
,11
R
)-
2,3,8,9-
tetramethoxy-
5,6,11,12-
tetrahydro-
5,11-
epiminodibenzo[
a,e
][8]annulene
Last Modified
13 October 2014