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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5677 - Hernandezine
Main
ChEBI Ontology
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ChEBI Name
Hernandezine
ChEBI ID
CHEBI:5677
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C39H44N2O7
Net Charge
0
Average Mass
652.777
Monoisotopic Mass
652.31485
InChI
InChI=1S/C39H44N2O7/c1-
40-
16-
14-
25-
21-
32(43-
4)
34-
22-
28(25)
29(40)
18-
23-
8-
11-
26(12-
9-
23)
47-
33-
20-
24(10-
13-
31(33)
42-
3)
19-
30-
35-
27(15-
17-
41(30)
2)
36(44-
5)
38(45-
6)
39(46-
7)
37(35)
48-
34/h8-
13,20-
22,29-
30H,14-
19H2,1-
7H3/t29-
,30-
/m0/s1
InChIKey
FUZMQNZACIFDBL-KYJUHHDHSA-N
SMILES
COc1ccc2C[C@@H]3N(C)CCc4c(OC)c(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34
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
Hernandezine (
CHEBI:5677
)
is a
bisbenzylisoquinoline alkaloid (
CHEBI:133004
)
Hernandezine (
CHEBI:5677
)
is a
isoquinolines (
CHEBI:24922
)
Synonym
Source
Hernandezine
KEGG COMPOUND
Manual Xrefs
Databases
C00001866
KNApSAcK
C09461
KEGG COMPOUND
View more database links
Registry Number
Type
Source
6681-13-6
CAS Registry Number
KEGG COMPOUND
Last Modified
12 August 2016