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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:9294 - Stypandrol
Main
ChEBI Ontology
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ChEBI Name
Stypandrol
ChEBI ID
CHEBI:9294
Stars
This entity has been manually annotated by a third party.
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Formula
C26H22O6
Net Charge
0
Average Mass
430.450
Monoisotopic Mass
430.14164
InChI
InChI=1S/C26H22O6/c1-
11-
9-
15-
5-
7-
17(23(29)
21(15)
25(31)
19(11)
13(3)
27)
18-
8-
6-
16-
10-
12(2)
20(14(4)
28)
26(32)
22(16)
24(18)
30/h5-
10,29-
32H,1-
4H3
InChIKey
GCLHKQZTLUKUTE-UHFFFAOYSA-N
SMILES
CC(=O)c1c(C)cc2ccc(-c3ccc4cc(C)c(C(C)=O)c(O)c4c3O)c(O)c2c1O
ChEBI Ontology
Outgoing
Stypandrol (
CHEBI:9294
)
is a
biphenyls (
CHEBI:22888
)
Synonym
Source
Stypandrol
KEGG COMPOUND
Manual Xrefs
Databases
C00003018
KNApSAcK
C09971
KEGG COMPOUND
View more database links
Registry Number
Type
Source
99305-33-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014