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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5996 - Isochondrodendrine
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ChEBI Ontology
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ChEBI Name
Isochondrodendrine
ChEBI ID
CHEBI:5996
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-
15-
13-
23-
19-
29(41-
3)
33(39)
35-
31(23)
27(37)
17-
21-
5-
9-
26(10-
6-
21)
44-
36-
32-
24(20-
30(42-
4)
34(36)
40)
14-
16-
38(2)
28(32)
18-
22-
7-
11-
25(43-
35)
12-
8-
22/h5-
12,19-
20,27-
28,39-
40H,13-
18H2,1-
4H3/t27-
,28-
/m1/s1
InChIKey
XIOGHHPVBVXQIV-VSGBNLITSA-N
SMILES
COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5c(O)c(OC)cc6CCN(C)[C@H](Cc7ccc(Oc(c1O)c23)cc7)c56)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
Isochondrodendrine (
CHEBI:5996
)
is a
bisbenzylisoquinoline alkaloid (
CHEBI:133004
)
Isochondrodendrine (
CHEBI:5996
)
is a
isoquinolines (
CHEBI:24922
)
Synonym
Source
Isochondrodendrine
KEGG COMPOUND
Manual Xrefs
Databases
C00001870
KNApSAcK
C09543
KEGG COMPOUND
View more database links
Registry Number
Type
Source
477-62-3
CAS Registry Number
KEGG COMPOUND
Last Modified
12 August 2016