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CHEBI:68804 - monocillin I

Default Structure
ChEBI IDCHEBI:68804
ChEBI Namemonocillin I
Stars
DefinitionA natural product found in Chaetomium chiversii.( Compound class : esters of orsellinic acid)
DownloadsMolfile
FormulaC18H24O6
Net Charge0
Average Mass336.384
Monoisotopic Mass336.15729
SMILES[H]OC1C([H])C2C(C(=O)O[C@]([H])(C([H])([H])[H])C([H])([H])[C@@]3([H])O[C@]3([H])/C([H])=C([H])/C([H])=C(\[H])C(=O)C2([H])[H])[C@H](O[H])C1[H]
InChIInChI=1S/C18H24O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h2-5,10-11,13-17,20-21H,6-9H2,1H3/b4-2+,5-3+/t10-,11?,13?,14?,15-,16-,17?/m1/s1
InChIKeyFLSSASKJHCKATQ-QSSBQEAWSA-N
Species of MetaboliteComponentSourceComments
Chaetomium chiversii (ncbitaxon:155873) - PubMed (19101477)
ChEBI Ontology
Outgoing Relation(s)
monocillin I (CHEBI:68804) has role metabolite (CHEBI:25212)
monocillin I (CHEBI:68804) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
23274411ChemSpider
Citations