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Compounds

COMPOUND NPA012541

STRUCTURE

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PROPERTIES

NPAID	NPA012541
CLUSTER ID	3289
NODE ID	729
NAME	Pestalospirane A
FORMULA	C24H24O6
MOLECULAR WEIGHT (Da)	408.4500
ACCURATE MASS (Da)	408.1573
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	virgatula
InChIKey	GWADQOOKXMSEMY-TVKIDPOGSA-N
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
SMILES	C[C@@H]1[C@@]2(C=CC3=C(CO2)C(=CC=C3)O)O[C@@H]([C@@]4(O1)C=CC5=C(CO4)C(=CC=C5)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kesting, Julie R.; Olsen, Lars; Staerk, Dan; Tejesvi, Mysore V.; Kini, Kukkundoor R.; Prakash, Harishchandra S.; Jaroszewski, Jerzy W. Production of unusual dispiro metabolites in Pestalotiopsis virgatula endophyte cultures: HPLC-SPE-NMR, electronic circular dichroism, and time-dependent density-functional computation study Journal of Natural Products 2011 74 (10) 2206-2215.
DOI	10.1021/np2005665	PMID	21942847

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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