CHEBI:66261 - trichodimerol

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ChEBI Name trichodimerol ChEBI ID CHEBI:66261 Definition An organic heterotetracyclic compound found in Trichoderma longibrachiatum and Penicillium chrysogenum. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H32O8 Net Charge 0 Average Mass 496.54890 Monoisotopic Mass 496.20972 InChI InChI=1S/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,31-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+/t19-,20-,23-,24-,25+,26+,27-,28-/m1/s1 InChIKey VATYWOIGKMMCMM-OXGNLDDNSA-N SMILES C\C=C\C=C\C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)\C=C\C=C\C)=C(O)[C@@]4(C)[C@@H]1[C@@]1(C)O[C@]4(O)[C@]3(C)O[C@@]21O Metabolite of Species Details Penicillium chrysogenum (NCBI:txid5076) of strain V 39673 See: PubMed Trichoderma longibrachiatum (NCBI:txid5548) See: CAN J CHEM, 1992, 70, 10, 2526 Roles Classification Biological Role(s): Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing trichodimerol (CHEBI:66261) has role Penicillium metabolite (CHEBI:76964) trichodimerol (CHEBI:66261) has role antineoplastic agent (CHEBI:35610) trichodimerol (CHEBI:66261) is a cyclic ether (CHEBI:37407) trichodimerol (CHEBI:66261) is a enone (CHEBI:51689) trichodimerol (CHEBI:66261) is a organic heterotetracyclic compound (CHEBI:38163) Synonym Source BMS-182123 ChEBI Registry Number Type Source 7609100 Reaxys Registry Number Reaxys Citation Type Source 8626236 PubMed citation Europe PMC Last Modified 13 January 2014

General Comment 2012-07-27 CAN J CHEM, 1992, 70, 10, 2526