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Compounds

COMPOUND NPA002201

STRUCTURE

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PROPERTIES

NPAID	NPA002201
CLUSTER ID	193
NODE ID	181
NAME	Waikialoid B
FORMULA	C52H54N6O9
MOLECULAR WEIGHT (Da)	907.0370
ACCURATE MASS (Da)	906.3952
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp.
InChIKey	WMVPIWNYGIBPQV-BRNHVWTHSA-N
InChI	InChI=1S/C52H54N6O9/c1-43(2)19-15-25-29(66-43)13-11-27-33(25)57(64)36-45(5,6)31-23-47-17-9-21-54(47)41(61)50(31,53-39(47)59)38-49(27,36)35-51-32(24-48(40(60)56(38)51)18-10-22-55(48)42(51)62)46(7,8)37-52(35,63)28-12-14-30-26(34(28)58(37)65)16-20-44(3,4)67-30/h11-16,19-20,31-32,35,38,63H,9-10,17-18,21-24H2,1-8H3,(H,53,59)/t31?,32?,35-,38+,47+,48-,49?,50?,51?,52+/m1/s1
SMILES	CC1(C=CC2=C(O1)C=CC3=C2[N+](=C4[C@]3([C@@H]5C67[C@@H](C89C(C[C@@]1(CCCN1C8=O)C(=O)N9)C(C6=[N+](C1=C7C=CC2=C1C=CC(O2)(C)C)[O-])(C)C)N1C52C(C4(C)C)C[C@@]3(C1=O)CCCN3C2=O)O)[O-])C

ORIGINAL ISOLATION REFERENCE

CITATION	Wang, Xiaoru; You, Jianlan; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H. Waikialoid A Suppresses Hyphal Morphogenesis and Inhibits Biofilm Development in Pathogenic Candida albicans Journal of Natural Products 2012 75 (4) 707-715.
DOI	10.1021/np2009994	PMID	22400916

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	Aspergillus	MycoBank	5052

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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