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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:33160 - octaphene
Main
ChEBI Ontology
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ChEBI Name
octaphene
ChEBI ID
CHEBI:33160
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C34H20
Net Charge
0
Average Mass
428.52260
Monoisotopic Mass
428.15650
InChI
InChI=1S/C34H20/c1-
2-
7-
23-
13-
29-
18-
32-
20-
34-
26(16-
30(32)
17-
28(29)
12-
22(23)
6-
1)
10-
9-
25-
15-
27-
11-
21-
5-
3-
4-
8-
24(21)
14-
31(27)
19-
33(25)
34/h1-
20H
InChIKey
WTFQBTLMPISHTA-UHFFFAOYSA-N
SMILES
c1ccc2cc3cc4cc5c(ccc6cc7cc8ccccc8cc7cc56)cc4cc3cc2c1
Roles Classification
Biological Role
(s):
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
(via
polycyclic arene
)
Application
(s):
endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via
polycyclic arene
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
octaphene (
CHEBI:33160
)
is a
ortho
-fused polycyclic arene (
CHEBI:35296
)
IUPAC Name
octaphene
Last Modified
19 November 2006