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> Main
CHEBI:59112 - 3-heptadecylcatechol
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ChEBI Name
3-heptadecylcatechol
ChEBI ID
CHEBI:59112
Definition
Catechol substituted at position 3 with a heptadecyl group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C23H40O2
Net Charge
0
Average Mass
348.56250
Monoisotopic Mass
348.30283
InChI
InChI=1S/C23H40O2/c1-
2-
3-
4-
5-
6-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
18-
21-
19-
17-
20-
22(24)
23(21)
25/h17,19-
20,24-
25H,2-
16,18H2,1H3
InChIKey
DXRKLUVKXMAMOV-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCc1cccc(O)c1O
ChEBI Ontology
Outgoing
3-heptadecylcatechol (
CHEBI:59112
)
is a
catechols (
CHEBI:33566
)
IUPAC Name
3-heptadecylbenzene-1,2-diol
Synonyms
Sources
3-Heptadecyl-1,2-benzenediol
ChemIDplus
3-heptadecylpyrocatechol
ChEBI
3-n-heptadecylcatechol
ChEBI
3-n-heptadecylpyrocatechol
ChEBI
HDC
ChEBI
Registry Numbers
Types
Sources
2385701
Beilstein Registry Number
Beilstein
5862-27-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
3742608
PubMed citation
Europe PMC
6231243
PubMed citation
Europe PMC
Last Modified
10 February 2016