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> Main
CHEBI:68994 - parfumine
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ChEBI Ontology
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ChEBI Name
parfumine
ChEBI ID
CHEBI:68994
Definition
A benzylisoquinoline alkaloid isolated from
Fumaria vaillantii
and
Fumaria parviflora
.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:7929
Supplier Information
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Formula
C20H19NO5
Net Charge
0
Average Mass
353.36860
Monoisotopic Mass
353.12632
InChI
InChI=1S/C20H19NO5/c1-
21-
6-
5-
11-
7-
16(24-
2)
14(22)
8-
13(11)
20(21)
9-
12-
3-
4-
15-
18(26-
10-
25-
15)
17(12)
19(20)
23/h3-
4,7-
8,22H,5-
6,9-
10H2,1-
2H3/t20-
/m0/s1
InChIKey
AHNUBWYOIHCGFN-FQEVSTJZSA-N
SMILES
COc1cc2CCN(C)[C@@]3(Cc4ccc5OCOc5c4C3=O)c2cc1O
Metabolite of Species
Details
Fumaria parviflora
(IPNI:75119-3)
See:
PubMed
Fumaria vaillantii
(NCBI:txid367484)
See:
PubMed
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
parfumine (
CHEBI:68994
)
has role
plant metabolite (
CHEBI:76924
)
parfumine (
CHEBI:68994
)
is a
azaspiro compound (
CHEBI:35624
)
parfumine (
CHEBI:68994
)
is a
benzylisoquinoline alkaloid (
CHEBI:22750
)
parfumine (
CHEBI:68994
)
is a
oxacycle (
CHEBI:38104
)
parfumine (
CHEBI:68994
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
(7
S
)-
7'-
hydroxy-
6'-
methoxy-
2'-
methyl-
3',4'-
dihydro-
2
H
,2'
H
-
spiro[indeno[4,5-
d
][1,3]dioxole-
7,1'-
isoquinolin]-
8(6
H
)-
one
Manual Xrefs
Databases
C00001900
KNApSAcK
C09599
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
28230-70-8
CAS Registry Number
KEGG COMPOUND
28230-70-8
CAS Registry Number
ChemIDplus
4578623
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22029392
PubMed citation
Europe PMC
25359679
PubMed citation
Europe PMC
Last Modified
01 June 2015