CHEBI:69698 - Pestalospirane A

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ChEBI Name Pestalospirane A
ChEBI ID CHEBI:69698
Definition A natural product found in Pestalotiopsis virgatula.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H24O6
Net Charge 0
Average Mass 408.44380
Monoisotopic Mass 408.15729
InChI InChI=1S/C24H24O6/c1-15-23(11-9-17-5-3-7-21(25)19(17)13-27-23)30-16(2)24(29-15)12-10-18-6-4-8-22(26)20(18)14-28-24/h3-12,15-16,25-26H,13-14H2,1-2H3/t15-,16-,23-,24+/m1/s1
InChIKey GWADQOOKXMSEMY-TVKIDPOGSA-N
SMILES C[C@H]1O[C@]2(OCc3c(O)cccc3C=C2)[C@@H](C)O[C@@]11OCc2c(O)cccc2C=C1
Metabolite of Species Details
Pestalotiopsis virgatula (NCBI:txid290289) Found in mycelium (BTO:0001436). Endophytic fungus derived from the plant Terminalia chebula. 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 Pestalospirane A (CHEBI:69698) has role metabolite (CHEBI:25212)
Pestalospirane A (CHEBI:69698) is a phenols (CHEBI:33853)
Citation Waiting for Citations Type Source
21942847 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:dioxanes(CHEBI:46926); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854);