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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:8801 - Reduced-(S)-usnate
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ChEBI Ontology
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ChEBI Name
Reduced-(S)-usnate
ChEBI ID
CHEBI:8801
Stars
This entity has been manually annotated by a third party.
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Formula
C18H18O7
Net Charge
0
Average Mass
346.332
Monoisotopic Mass
346.10525
InChI
InChI=1S/C18H18O7/c1-
6-
14(22)
12(8(3)
20)
16-
13(15(6)
23)
18(4)
10(25-
16)
5-
9(21)
11(7(2)
19)
17(18)
24/h5,10-
11,21-
23H,1-
4H3/t10?,11-
,18?/m1/s1
InChIKey
UBYJZHVTHFEIHI-ARAINJGVSA-N
SMILES
CC(=O)[C@@H]1C(O)=CC2Oc3c(c(O)c(C)c(O)c3C(C)=O)C2(C)C1=O
ChEBI Ontology
Outgoing
Reduced-(S)-usnate (
CHEBI:8801
)
is a
benzofurans (
CHEBI:35259
)
Synonym
Source
Reduced-(S)-usnate
KEGG COMPOUND
Manual Xref
Database
C02747
KEGG COMPOUND
View more database links
Last Modified
28 July 2014