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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:5060 - Filixic acid BBB
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ChEBI Ontology
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ChEBI Name
Filixic acid BBB
ChEBI ID
CHEBI:5060
Stars
This entity has been manually annotated by a third party.
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Formula
C36H44O12
Net Charge
0
Average Mass
668.729
Monoisotopic Mass
668.28328
InChI
InChI=1S/C36H44O12/c1-
8-
11-
20(37)
23-
27(41)
16(14-
18-
29(43)
24(21(38)
12-
9-
2)
33(47)
35(4,5)
31(18)
45)
26(40)
17(28(23)
42)
15-
19-
30(44)
25(22(39)
13-
10-
3)
34(48)
36(6,7)
32(19)
46/h40-
42,45-
48H,8-
15H2,1-
7H3
InChIKey
CBJLTLWLKQTVHD-UHFFFAOYSA-N
SMILES
CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CCC)C2=O)c1O
ChEBI Ontology
Outgoing
Filixic acid BBB (
CHEBI:5060
)
has functional parent
phloroglucinol (
CHEBI:16204
)
Filixic acid BBB (
CHEBI:5060
)
is a
carboxylic ester (
CHEBI:33308
)
Synonyms
Sources
Filicin
KEGG COMPOUND
Filixic acid BBB
KEGG COMPOUND
Manual Xrefs
Databases
C00002696
KNApSAcK
C10693
KEGG COMPOUND
View more database links
Registry Number
Type
Source
4482-83-1
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014