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CHEBI:68781 - chaetomanone

Default Structure
ChEBI IDCHEBI:68781
ChEBI Namechaetomanone
Stars
DefinitionA natural product found in Chaetomium globosum.( Compound class : anthraquinone-chromanone)
DownloadsMolfile
FormulaC31H36O12
Net Charge0
Average Mass600.617
Monoisotopic Mass600.22068
SMILES[H]OC1C([H])C(C([H])([H])[H])C([H])C2C(=O)[C@@]34C([H])=C([H])[C@@]([H])(C(=O)[C@]3(O[H])C(=O)C12)C1C(O[H])C2C(=O)C([H])([H])[C@](C(=O)OC([H])([H])[H])([C@@]3([H])OC(=O)C([H])([H])C3([H])[H])OC2C([H])C1C4([H])[H]
InChIInChI=1S/C31H36O12/c1-12-7-15-22(16(32)8-12)27(38)31(40)26(37)14-5-6-29(31,25(15)36)10-13-9-18-23(24(35)21(13)14)17(33)11-30(43-18,28(39)41-2)19-3-4-20(34)42-19/h5-6,12-16,18-19,21-24,32,35,40H,3-4,7-11H2,1-2H3/t12?,13?,14-,15?,16?,18?,19+,21?,22?,23?,24?,29+,30-,31+/m1/s1
InChIKeyZVLQJGNLXSDFDN-IYFFJJEWSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (12357398)
ChEBI Ontology
Outgoing Relation(s)
chaetomanone (CHEBI:68781) has role metabolite (CHEBI:25212)
chaetomanone (CHEBI:68781) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
2278588ChemSpider
Citations