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CHEBI:200438 - 7,7'-Dichlorohypericin

ChEBI IDCHEBI:200438
ChEBI Name7,7'-Dichlorohypericin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H14Cl2O8
Net Charge0
Average Mass573.340
Monoisotopic Mass572.00657
SMILESCc1cc(=O)c2c(O)c3c(O)c(Cl)c(O)c4c5c(O)c(Cl)c(O)c6c(O)c7c(=O)cc(C)c8c1c2c(c34)c(c65)c78
InChIInChI=1S/C30H14Cl2O8/c1-5-3-7(33)11-13-9(5)10-6(2)4-8(34)12-14(10)16-15(13)17-19(27(37)23(31)29(39)21(17)25(11)35)20-18(16)22(26(12)36)30(40)24(32)28(20)38/h3-4,35-40H,1-2H3
InChIKeyGVMGQHHCKWJOTF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nephroma laevigatum (ncbitaxon:203386) - DOI (10.1021/np50118a006)
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)
7,7'-Dichlorohypericin (CHEBI:200438) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
IUPAC Name 
12,17-dichloro-9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3(8),4(25),5,9,11,13,15,17,19,21(26),23-tridecaene-7,22-dione
Manual XrefsDatabases
78435934ChemSpider