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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:82476 - Hydroxysenkirkine
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ChEBI Ontology
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ChEBI Name
Hydroxysenkirkine
ChEBI ID
CHEBI:82476
Stars
This entity has been manually annotated by a third party.
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Formula
C19H28NO7
Net Charge
+1
Average Mass
382.42810
Monoisotopic Mass
382.18603
InChI
InChI=1S/C19H28NO7/c1-
4-
13-
9-
12(2)
18(24,11-
21)
17(23)
26-
10-
14-
5-
7-
20(3)
8-
6-
15(19(14,20)
25)
27-
16(13)
22/h4-
5,12,15,21,24-
25H,6-
11H2,1-
3H3/q+1/b13-
4-
/t12-
,15-
,18-
,19+,20?/m1/s1
InChIKey
CRWHRMSWJOLABX-NXWCFRFGSA-N
SMILES
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O
ChEBI Ontology
Outgoing
Hydroxysenkirkine (
CHEBI:82476
)
is a
citraconoyl group (
CHEBI:23315
)
Manual Xref
Database
C19435
KEGG COMPOUND
View more database links
Registry Number
Type
Source
26782-43-4
CAS Registry Number
KEGG COMPOUND