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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:6093 - Justicidin A
Main
ChEBI Ontology
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ChEBI Name
Justicidin A
ChEBI ID
CHEBI:6093
Stars
This entity has been manually annotated by a third party.
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Formula
C22H18O7
Net Charge
0
Average Mass
394.375
Monoisotopic Mass
394.10525
InChI
InChI=1S/C22H18O7/c1-
24-
16-
7-
12-
13(8-
17(16)
25-
2)
21(26-
3)
14-
9-
27-
22(23)
20(14)
19(12)
11-
4-
5-
15-
18(6-
11)
29-
10-
28-
15/h4-
8H,9-
10H2,1-
3H3
InChIKey
ANFSXHKDCKWWDB-UHFFFAOYSA-N
SMILES
COc1cc2c(OC)c3COC(=O)c3c(-c3ccc4OCOc4c3)c2cc1OC
ChEBI Ontology
Outgoing
Justicidin A (
CHEBI:6093
)
is a
lignan (
CHEBI:25036
)
Synonym
Source
Justicidin A
KEGG COMPOUND
Manual Xrefs
Databases
C00000700
KNApSAcK
C10633
KEGG COMPOUND
View more database links
Registry Number
Type
Source
25001-57-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014