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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2487 - Adiantifoline
Main
ChEBI Ontology
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ChEBI Name
Adiantifoline
ChEBI ID
CHEBI:2487
Stars
This entity has been manually annotated by a third party.
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Formula
C42H50N2O9
Net Charge
0
Average Mass
726.856
Monoisotopic Mass
726.35163
InChI
InChI=1S/C42H50N2O9/c1-
43-
13-
11-
23-
17-
32(45-
3)
34(47-
5)
20-
27(23)
29(43)
16-
25-
19-
33(46-
4)
36(49-
7)
22-
31(25)
53-
37-
18-
24-
15-
30-
38-
26(12-
14-
44(30)
2)
40(50-
8)
42(52-
10)
41(51-
9)
39(38)
28(24)
21-
35(37)
48-
6/h17-
22,29-
30H,11-
16H2,1-
10H3/t29-
,30-
/m0/s1
InChIKey
UEKRHVIBSZVFQN-KYJUHHDHSA-N
SMILES
COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5c(OC)c(OC)c(OC)c(-c3cc2OC)c45)cc1OC
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
Adiantifoline (
CHEBI:2487
)
is a
aporphine alkaloid (
CHEBI:134209
)
Adiantifoline (
CHEBI:2487
)
is a
bisbenzylisoquinoline alkaloid (
CHEBI:133004
)
Synonym
Source
Adiantifoline
KEGG COMPOUND
Manual Xrefs
Databases
C00001791
KNApSAcK
C09323
KEGG COMPOUND
View more database links
Registry Number
Type
Source
20823-96-5
CAS Registry Number
KEGG COMPOUND
Last Modified
04 January 2017