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Compounds

COMPOUND NPA016489

STRUCTURE

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PROPERTIES

NPAID	NPA016489
CLUSTER ID	5629
NODE ID	3985
NAME	BK223 B
FORMULA	C42H48O20
MOLECULAR WEIGHT (Da)	872.8260
ACCURATE MASS (Da)	872.2739
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	verruculosum (IMI 352119)
InChIKey	FFNMLCFKTIYAOS-JDFZNLSNSA-N
InChI	InChI=1S/C42H48O20/c1-20-10-29-14-31(58-24(5)43)16-34(61-27(8)46)39(29)41(51)56-22(3)12-36(48)53-19-33(60-26(7)45)18-38(50)55-21(2)11-30-15-32(59-25(6)44)17-35(62-28(9)47)40(30)42(52)57-23(4)13-37(49)54-20/h14-17,20-23,33H,10-13,18-19H2,1-9H3/t20-,21-,22-,23-,33+/m1/s1
SMILES	C[C@@H]1CC2=CC(=CC(=C2C(=O)O[C@@H](CC(=O)OC[C@H](CC(=O)O[C@@H](CC3=CC(=CC(=C3C(=O)O[C@@H](CC(=O)O1)C)OC(=O)C)OC(=O)C)C)OC(=O)C)C)OC(=O)C)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Breinholt; Jensen; Nelsen; Olsen; Frisvad Antifungal macrocyclic polylactones from Penicillium verruculosum Journal of Antibiotics 1993 46 (7) 1101-1108.
DOI	10.7164/antibiotics.46.1101	PMID	8360106

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

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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