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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3711 - Cinnamodial
Main
ChEBI Ontology
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ChEBI Name
Cinnamodial
ChEBI ID
CHEBI:3711
Stars
This entity has been manually annotated by a third party.
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Formula
C17H24O5
Net Charge
0
Average Mass
308.370
Monoisotopic Mass
308.16237
InChI
InChI=1S/C17H24O5/c1-
11(20)
22-
13-
8-
12(9-
18)
17(21,10-
19)
16(4)
7-
5-
6-
15(2,3)
14(13)
16/h8-
10,13-
14,21H,5-
7H2,1-
4H3/t13-
,14+,16+,17-
/m1/s1
InChIKey
UKLMEFSRPRDOLD-YQFWSFKMSA-N
SMILES
CC(=O)O[C@@H]1C=C(C=O)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12
ChEBI Ontology
Outgoing
Cinnamodial (
CHEBI:3711
)
is a
tertiary alcohol (
CHEBI:26878
)
Synonym
Source
Cinnamodial
KEGG COMPOUND
Manual Xrefs
Databases
C00003117
KNApSAcK
C09638
KEGG COMPOUND
View more database links
Registry Number
Type
Source
23599-45-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014