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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:8236 - Piperdial
Main
ChEBI Ontology
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ChEBI Name
Piperdial
ChEBI ID
CHEBI:8236
Stars
This entity has been manually annotated by a third party.
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Formula
C15H22O3
Net Charge
0
Average Mass
250.334
Monoisotopic Mass
250.15689
InChI
InChI=1S/C15H22O3/c1-
9-
4-
10(7-
16)
13(8-
17)
14(18)
12-
6-
15(2,3)
5-
11(9)
12/h4,7-
9,11-
14,18H,5-
6H2,1-
3H3/t9-
,11+,12+,13-
,14-
/m0/s1
InChIKey
XXMVNOYKYOCDTD-OMRNGCIESA-N
SMILES
C[C@H]1C=C(C=O)[C@H](C=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@H]12
ChEBI Ontology
Outgoing
Piperdial (
CHEBI:8236
)
is a
secondary alcohol (
CHEBI:35681
)
Synonym
Source
Piperdial
KEGG COMPOUND
Manual Xrefs
Databases
C00003174
KNApSAcK
C09711
KEGG COMPOUND
View more database links
Registry Number
Type
Source
100288-36-6
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014