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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:10 - (+)-Atherospermoline
Main
ChEBI Ontology
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ChEBI Name
(+)-Atherospermoline
ChEBI ID
CHEBI:10
Stars
This entity has been manually annotated by a third party.
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Formula
C36H38N2O6
Net Charge
0
Average Mass
594.698
Monoisotopic Mass
594.27299
InChI
InChI=1S/C36H38N2O6/c1-
37-
13-
11-
23-
18-
31(41-
3)
32-
20-
26(23)
27(37)
15-
21-
5-
8-
25(9-
6-
21)
43-
30-
17-
22(7-
10-
29(30)
39)
16-
28-
34-
24(12-
14-
38(28)
2)
19-
33(42-
4)
35(40)
36(34)
44-
32/h5-
10,17-
20,27-
28,39-
40H,11-
16H2,1-
4H3/t27-
,28-
/m0/s1
InChIKey
XGEAUXVPBXUBKN-NSOVKSMOSA-N
SMILES
COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@@H]6N(C)CCc7cc(OC)c(O)c(Oc1cc23)c67)ccc5O)cc4
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
(+)-Atherospermoline (
CHEBI:10
)
is a
bisbenzylisoquinoline alkaloid (
CHEBI:133004
)
Synonym
Source
(+)-Atherospermoline
KEGG COMPOUND
Manual Xrefs
Databases
C00001814
KNApSAcK
C11141
KEGG COMPOUND
View more database links
Registry Number
Type
Source
21008-67-3
CAS Registry Number
KEGG COMPOUND
Last Modified
12 August 2016