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Compounds

COMPOUND NPA030547

STRUCTURE

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PROPERTIES

NPAID	NPA030547
CLUSTER ID	482
NODE ID	433
NAME	2-hydroacetoxydehydroaustin
FORMULA	C29H34O12
MOLECULAR WEIGHT (Da)	574.5790
ACCURATE MASS (Da)	574.2050
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp. 16-5c
InChIKey	AAPBNQSLXVWXNI-OFKDBGQDSA-N
InChI	InChI=1S/C29H34O12/c1-12-24(8)20(38-16(5)31)28-13(2)26(10-17(32)19(33)39-23(26,6)7)11-18(37-15(4)30)25(28,9)27(12)21(34)36-14(3)29(27,41-28)22(35)40-24/h14,17-18,20,32H,1-2,10-11H2,3-9H3/t14-,17+,18-,20-,24+,25-,26+,27+,28+,29-/m1/s1
SMILES	C=C1[C@]2(C)OC(=O)[C@@]34O[C@@]5(C(=C)[C@]6(C[C@H](O)C(=O)OC6(C)C)C[C@@H](OC(C)=O)[C@]5(C)[C@@]13C(=O)O[C@@H]4C)[C@@H]2OC(C)=O

ORIGINAL ISOLATION REFERENCE

CITATION	Long, Y; Cui, H; Liu, X; Xiao, Z; Wen, S; She, Z; Huang, X Acetylcholinesterase Inhibitory Meroterpenoid from a Mangrove Endophytic Fungus Aspergillus sp. 16-5c. Molecules 2017 22 (5) 727.
DOI	10.3390/molecules22050727	PMID	28467349

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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