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CHEBI:70041 - Pestaloquinol B

ChEBI IDCHEBI:70041
ChEBI NamePestaloquinol B
Stars
DefinitionA natural product found in Pestalotiopsis species.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H52O10
Net Charge0
Average Mass668.824
Monoisotopic Mass668.35605
SMILES[H][C@]12[C@H](CCCCC)OC=C3[C@@]1(C(=O)[C@]1([H])O[C@@]14C[C@H](O)C(C)(C)O[C@@]34[H])[C@@H]1O[C@@H](CCCCC)[C@@]2([H])C2=C1[C@]1([H])OC(C)(C)[C@@H](O)C[C@@]13O[C@@]3([H])C2=O
InChIInChI=1S/C38H52O10/c1-7-9-11-13-19-23-24-25(30-37(32(47-37)27(24)41)16-22(40)35(5,6)46-30)31(44-19)38-18(17-43-20(26(23)38)14-12-10-8-2)29-36(33(48-36)28(38)42)15-21(39)34(3,4)45-29/h17,19-23,26,29-33,39-40H,7-16H2,1-6H3/t19-,20-,21-,22-,23-,26+,29-,30-,31+,32-,33-,36+,37+,38+/m0/s1
InChIKeyQOGRHXMXZZVQKH-BOABAKHZSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis (ncbitaxon:36460) - PubMed (21302965) EtOAc extract of fermented endophytic fungi isolated from branches of Podocarpus macrophyllus
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pestaloquinol B (CHEBI:70041) has role metabolite (CHEBI:25212)
Pestaloquinol B (CHEBI:70041) is a organic heterotricyclic compound (CHEBI:26979)
Pestaloquinol B (CHEBI:70041) is a organooxygen compound (CHEBI:36963)
Citations