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Compounds

COMPOUND NPA016816

STRUCTURE

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PROPERTIES

NPAID	NPA016816
CLUSTER ID	375
NODE ID	339
NAME	Oxalicine A
FORMULA	C30H33NO6
MOLECULAR WEIGHT (Da)	503.5950
ACCURATE MASS (Da)	503.2308
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	thiersii
InChIKey	HYMLFCZXNWRIQS-RZUCXZKQSA-N
InChI	InChI=1S/C30H33NO6/c1-17(2)20-9-11-28(4)23(29(20)12-10-24(32)35-16-29)8-7-18(3)30(28)26(33)25-22(37-30)14-21(36-27(25)34)19-6-5-13-31-15-19/h5-7,13-15,20,23,26,33H,1,8-12,16H2,2-4H3/t20-,23-,26-,28+,29+,30+/m0/s1
SMILES	CC1=CC[C@H]2[C@]([C@]13[C@H](C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)(CC[C@H]([C@]26CCC(=O)OC6)C(=C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Chen; Gloer, James B.; Wicklow, Donald T.; Dowd, Patrick F. Antiinsectan decaturin and oxalicine analogues from Penicillium thiersii Journal of Natural Products 2005 68 (3) 319-322.
DOI	10.1021/np0496486	PMID	15787428

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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