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CHEBI:51413 - circumtrindene

ChEBI IDCHEBI:51413
ChEBI Namecircumtrindene
Stars
Last Modified19 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC36H12
Net Charge0
Average Mass444.492
Monoisotopic Mass444.09390
SMILESc1cc2c3ccc4ccc5c6ccc7ccc8c9ccc1c1c2c2c%10c3c4c5c%10c3c6c7c8c3c2c91
InChIInChI=1S/C36H12/c1-7-16-17-9-3-14-5-11-20-21-12-6-15-4-10-19-18-8-2-13(1)22-25(16)31-32(26(18)22)34-28(19)24(15)30(21)36(34)35-29(20)23(14)27(17)33(31)35/h1-12H
InChIKeyQMGQDOOJOCPYIA-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
circumtrindene (CHEBI:51413) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
IUPAC Name 
triacenaphtho[3,2,1,8-cdefg:3',2',1',8'-ijklm:3'',2'',1'',8''-opqra]triphenylene
Registry NumbersSources
Beilstein:7604302Beilstein