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Compounds

COMPOUND NPA029554

STRUCTURE

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PROPERTIES

NPAID	NPA029554
CLUSTER ID	95
NODE ID	90
NAME	Asperginol A
FORMULA	C27H40O6
MOLECULAR WEIGHT (Da)	460.6110
ACCURATE MASS (Da)	460.2825
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp. HAB10R12
InChIKey	HXUFFOWWLYPUFU-FXZKLQIISA-N
InChI	InChI=1S/C27H40O6/c1-14-16(3)32-24(31)17(23(14)30)12-18-15(2)19(28)13-20-26(18,6)11-9-22-27(20,7)10-8-21(29)25(4,5)33-22/h18-22,28-30H,2,8-13H2,1,3-7H3/t18-,19-,20-,21+,22-,26-,27-/m1/s1
SMILES	C=C1[C@@H](CC2=C(O)C(C)=C(C)OC2=O)[C@@]2(C)CC[C@H]3OC(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]2C[C@H]1O

ORIGINAL ISOLATION REFERENCE

CITATION	Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F Asperginols A and B, Diterpene Pyrones, from an Aspergillus sp. and the Structure Revision of Previously Reported Analogues Journal of Natural Products 2020 83 (12) 3564-3570.
DOI	10.1021/acs.jnatprod.0c00618	PMID	33305943

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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