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CHEBI:51414 - hexacyclopentacoronene

ChEBI IDCHEBI:51414
ChEBI Namehexacyclopentacoronene
Stars
Last Modified19 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC36H12
Net Charge0
Average Mass444.492
Monoisotopic Mass444.09390
SMILESc1cc2c3ccc4c5ccc6c7ccc8c9ccc%10c%11ccc%12c1c2c1c(c%12%11)c(c%109)c(c87)c(c56)c1c34
InChIInChI=1S/C36H12/c1-2-14-16-5-6-19-20-9-10-22-24-12-11-23-21-8-7-18-17-4-3-15-13(1)25(14)31-32(26(15)17)34(28(18)21)36(30(23)24)35(29(20)22)33(31)27(16)19/h1-12H
InChIKeyCPYSJPHHGZPDFC-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)
hexacyclopentacoronene (CHEBI:51414) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
IUPAC Name 
hexacyclopenta[bc,ef,hi,kl,no,qr]coronene
Registry NumbersSources
Beilstein:6445592Beilstein
CAS:96928-78-8NIST Chemistry WebBook