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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:8836 - Rhoeadine
Main
ChEBI Ontology
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ChEBI Name
Rhoeadine
ChEBI ID
CHEBI:8836
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C21H21NO6
Net Charge
0
Average Mass
383.395
Monoisotopic Mass
383.13689
InChI
InChI=1S/C21H21NO6/c1-
22-
6-
5-
11-
7-
15-
16(26-
9-
25-
15)
8-
13(11)
19-
18(22)
12-
3-
4-
14-
20(27-
10-
24-
14)
17(12)
21(23-
2)
28-
19/h3-
4,7-
8,18-
19,21H,5-
6,9-
10H2,1-
2H3/t18-
,19-
,21+/m1/s1
InChIKey
XRBIHOLQAKITPP-SBHAEUEKSA-N
SMILES
CO[C@H]1O[C@H]2[C@H](N(C)CCc3cc4OCOc4cc23)c2ccc3OCOc3c12
Roles Classification
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
Rhoeadine (
CHEBI:8836
)
is a
alkaloid (
CHEBI:22315
)
Synonym
Source
Rhoeadine
KEGG COMPOUND
Manual Xrefs
Databases
C00001911
KNApSAcK
C09619
KEGG COMPOUND
View more database links
Registry Number
Type
Source
2718-25-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014