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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:8182 - phyllospadine
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ChEBI Ontology
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ChEBI Name
phyllospadine
ChEBI ID
CHEBI:8182
Definition
A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy group at position 6 and a 1-methylpyrrolidin-2-yl group at position 8.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H21NO6
Net Charge
0
Average Mass
383.39450
Monoisotopic Mass
383.13689
InChI
InChI=1S/C21H21NO6/c1-
22-
9-
3-
4-
13(22)
16-
18(25)
21(27-
2)
19(26)
17-
14(24)
10-
15(28-
20(16)
17)
11-
5-
7-
12(23)
8-
6-
11/h5-
8,10,13,23,25-
26H,3-
4,9H2,1-
2H3
InChIKey
MHPSUMPGWBYSSV-UHFFFAOYSA-N
SMILES
COc1c(O)c(C2CCCN2C)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Metabolite of Species
Details
Phyllospadix iwatensis
(NCBI:txid214525)
See: Agricultural and Biological Chemistry Volume 44, Issue 12, 1980
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.
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
phyllospadine (
CHEBI:8182
)
has role
plant metabolite (
CHEBI:76924
)
phyllospadine (
CHEBI:8182
)
is a
alkaloid (
CHEBI:22315
)
phyllospadine (
CHEBI:8182
)
is a
monomethoxyflavone (
CHEBI:25401
)
phyllospadine (
CHEBI:8182
)
is a
pyrrolidines (
CHEBI:38260
)
phyllospadine (
CHEBI:8182
)
is a
trihydroxyflavone (
CHEBI:27116
)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-8-(1-methylpyrrolidin-2-yl)-4
H
-1-benzopyran-4-one
Manual Xrefs
Databases
C00002354
KNApSAcK
C10609
KEGG COMPOUND
LMPK12111158
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
7103780
Reaxys Registry Number
Reaxys
76540-48-2
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
IND81023035
Agricola citation
Europe PMC
Last Modified
05 June 2015