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Compounds

COMPOUND NPA012268

STRUCTURE

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PROPERTIES

NPAID	NPA012268
CLUSTER ID	60
NODE ID	56
NAME	22-O-(N-Me-L-valyl)-21-epi-aflaquinolone B
FORMULA	C32H42N2O6
MOLECULAR WEIGHT (Da)	550.6960
ACCURATE MASS (Da)	550.3043
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp. XS-20090B15
InChIKey	HXDOHVMCRWLYFS-XCNYLRODSA-N
InChI	InChI=1S/C32H42N2O6/c1-19(2)26(33-5)30(37)40-24-15-17-31(4,18-20(24)3)16-14-21-12-13-23-25(27(21)35)32(38,22-10-8-7-9-11-22)28(39-6)29(36)34-23/h7-14,16,19-20,24,26,28,33,35,38H,15,17-18H2,1-6H3,(H,34,36)/b16-14+/t20-,24-,26+,28-,31-,32+/m1/s1
SMILES	C[C@@H]1C[C@](CC[C@H]1OC(=O)[C@H](C(C)C)NC)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=CC=C4)O)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Chen, Min; Shao, Chang-Lun; Meng, Hong; She, Zhi-Gang; Wang, Chang-Yun Anti-respiratory syncytial virus prenylated dihydroquinolone derivatives from the gorgonian-derived fungus Aspergillus sp. XS-20090B15 Journal of Natural Products 2014 77 (12) 2720-2724.
DOI	10.1021/np500650t	PMID	25420212

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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