CHEBI:70041 - Pestaloquinol B

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ChEBI Name Pestaloquinol B
ChEBI ID CHEBI:70041
Definition A natural product found in Pestalotiopsis species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C38H52O10
Net Charge 0
Average Mass 668.81350
Monoisotopic Mass 668.35605
InChI InChI=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
InChIKey QOGRHXMXZZVQKH-BOABAKHZSA-N
SMILES [H][C@@]12O[C@@]11C[C@H](O)C(C)(C)O[C@@]1([H])C1=C(C2=O)[C@]2([H])[C@H](CCCCC)O[C@H]1[C@]13C(=O)[C@]4([H])O[C@@]44C[C@H](O)C(C)(C)O[C@@]4([H])C1=CO[C@@H](CCCCC)[C@]23[H]
Metabolite of Species Details
Pestalotiopsis (NCBI:txidtxid36460) EtOAc extract of fermented endophytic fungi isolated from branches of Podocarpus macrophyllus See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Citation Waiting for Citations Type Source
21302965 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:naphthalenes(CHEBI:25477); ISA:cyclohexanones(CHEBI:23482); ISA:oxacycle(CHEBI:38104); ISA:oxanes(CHEBI:46942); ISA:pyrans(CHEBI:26407); ISA:monosaccharide(CHEBI:35381); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:epoxide(CHEBI:32955);