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Compounds

COMPOUND NPA014683

STRUCTURE

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PROPERTIES

NPAID	NPA014683
CLUSTER ID	580
NODE ID	517
NAME	Virgatolide A
FORMULA	C22H26O9
MOLECULAR WEIGHT (Da)	434.4410
ACCURATE MASS (Da)	434.1577
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	virgatula
InChIKey	QTQCQKPBJYDKHV-ZEUIEBOTSA-N
InChI	InChI=1S/C22H26O9/c1-9-4-12-15(5-13-16(17(12)25)20(27)28-18(13)11(3)23)30-22(9)8-21(6-10(2)29-22)7-14(24)19(26)31-21/h5,9-11,14,18,23-25H,4,6-8H2,1-3H3/t9-,10-,11-,14+,18+,21-,22+/m0/s1
SMILES	C[C@H]1CC2=C(C=C3[C@H](OC(=O)C3=C2O)[C@H](C)O)O[C@]14C[C@]5(C[C@@H](O4)C)C[C@H](C(=O)O5)O

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Jian; Li, Li; Si, Yikang; Jiang, Xuejun; Guo, Liangdong; Che, Yongsheng Virgatolides A-C, benzannulated spiroketals from the plant endophytic fungus Pestalotiopsis virgatula Organic Letters 2011 13 (10) 2670-2673.
DOI	10.1021/ol200770k	PMID	21495643

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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