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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2518 - Agrimophol
Main
ChEBI Ontology
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ChEBI Name
Agrimophol
ChEBI ID
CHEBI:2518
Stars
This entity has been manually annotated by a third party.
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Formula
C26H34O8
Net Charge
0
Average Mass
474.544
Monoisotopic Mass
474.22537
InChI
InChI=1S/C26H34O8/c1-
8-
10-
16(27)
17-
22(31)
15(20(29)
13(4)
23(17)
34-
7)
11-
26(6)
24(32)
14(5)
21(30)
18(25(26)
33)
19(28)
12(3)
9-
2/h12,29-
32H,8-
11H2,1-
7H3/t12-
,26+/m1/s1
InChIKey
NQGCBDWQKDAGTK-RYZVSIALSA-N
SMILES
CCCC(=O)c1c(O)c(C[C@]2(C)C(=O)C(C(=O)[C@H](C)CC)=C(O)C(C)=C2O)c(O)c(C)c1OC
ChEBI Ontology
Outgoing
Agrimophol (
CHEBI:2518
)
has functional parent
phloroglucinol (
CHEBI:16204
)
Agrimophol (
CHEBI:2518
)
is a
carboxylic ester (
CHEBI:33308
)
Synonym
Source
Agrimophol
KEGG COMPOUND
Manual Xrefs
Databases
C00002688
KNApSAcK
C10671
KEGG COMPOUND
View more database links
Registry Number
Type
Source
65792-05-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014