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Compounds

COMPOUND NPA009018

STRUCTURE

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PROPERTIES

NPAID	NPA009018
CLUSTER ID	3787
NODE ID	2843
NAME	Pestalofone A
FORMULA	C16H22O3
MOLECULAR WEIGHT (Da)	262.3490
ACCURATE MASS (Da)	262.1569
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	fici
InChIKey	XPTXPZUFXASXPQ-KHCQGZIYSA-N
InChI	InChI=1S/C16H22O3/c1-10(2)5-6-12-9-13(17)15-16(19-15,14(12)18)8-7-11(3)4/h5-7,13,15,17H,8-9H2,1-4H3/b12-6+/t13-,15-,16+/m0/s1
SMILES	CC(=CC[C@@]12[C@@H](O1)[C@H](C/C(=C\C=C(C)C)/C2=O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Liu, Ling; Liu, Shuchun; Chen, Xulin; Guo, Liangdong; Che, Yongsheng Pestalofones A-E, bioactive cyclohexanone derivatives from the plant endophytic fungus Pestalotiopsis fici Bioorganic and Medicinal Chemistry 2009 17 (2) 606-613.
DOI	10.1016/j.bmc.2008.11.066	PMID	19101157

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Amphisphaeriales	MycoBank	-
Family	Sporocadaceae	MycoBank	1812776
Genus	Pestalotiopsis	MycoBank	37840

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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