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Compounds

COMPOUND NPA023837

STRUCTURE

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PROPERTIES

NPAID	NPA023837
CLUSTER ID	7277
NODE ID	4989
NAME	Pseudallicin A
FORMULA	C34H50O9
MOLECULAR WEIGHT (Da)	602.7650
ACCURATE MASS (Da)	602.3455
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pseudallescheria
ORIGIN SPECIES	boydii SNB-CN85
InChIKey	QEGNHMSZFBUCGF-XPQHKSOSSA-N
InChI	InChI=1S/C34H50O9/c1-21(2)10-9-15-30(6)24-18-32(43-30,16-13-23(24)5)19-26(36)29(37)41-20-33(38)17-14-25(35)28(40-8)34(33,39)31(7)27(42-31)12-11-22(3)4/h9-11,15,24,26-28,36,38-39H,5,12-14,16-20H2,1-4,6-8H3/t24-,26+,27-,28+,30+,31-,32-,33-,34-/m0/s1
SMILES	CC(=CC[C@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(COC(=O)[C@@H](C[C@]34CCC(=C)[C@H](C3)[C@@](O4)(C)C=CC=C(C)C)O)O)OC)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Sorres, Jonathan; Nirma, Charlotte; Eparvier, Véronique; Stien, Didier Pseudallicins A-D: Four Complex Ovalicin Derivatives from Pseudallescheria boydii SNB-CN85 Organic Letters 2017 19 (15) 3978-3981.
DOI	10.1021/acs.orglett.7b01671	PMID	28708403

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Microascales	MycoBank	5592
Family	Microascaceae	MycoBank	5593
Genus	Pseudallescheria	MycoBank	5596

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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