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Compounds

COMPOUND NPA005662

STRUCTURE

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PROPERTIES

NPAID	NPA005662
CLUSTER ID	1732
NODE ID	1409
NAME	Pestalotheol C
FORMULA	C16H24O4
MOLECULAR WEIGHT (Da)	280.3640
ACCURATE MASS (Da)	280.1675
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	theae
InChIKey	FWSQMPDAXKALDF-MXRRJLFPSA-N
InChI	InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14-,16+/m0/s1
SMILES	CC(=C/C=C\1/C[C@H]2[C@]3(C[C@@H](O2)C(C)(C)O)[C@H]([C@@H]1O)O3)C

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Erwei; Tian, Renrong; Liu, Shuchun; Chen, Xulin; Guo, Liangdong; Che, Yongsheng Pestalotheols A-D, bioactive metabolites from the plant endophytic fungus Pestalotiopsis theae Journal of Natural Products 2008 71 (4) 664-668.
DOI	10.1021/np700744t	PMID	18303847

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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