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Compounds

COMPOUND NPA011894

STRUCTURE

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PROPERTIES

NPAID	NPA011894
CLUSTER ID	4538
NODE ID	3319
NAME	4,8,10,14-tetramethyl-6-acetoxy-14-[16-acetoxy-19-(20,21-dimethyl)-18-ene]phenanthrene-1-ene-3,7-dione
FORMULA	C29H42O6
MOLECULAR WEIGHT (Da)	486.6490
ACCURATE MASS (Da)	486.2981
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	fumigatus
InChIKey	GSGLWPRVSBCOJV-AZQYEMCNSA-N
InChI	InChI=1S/C29H42O6/c1-17(2)11-12-21(34-19(4)30)16-27(6)14-9-10-23-28(7)15-13-22(32)18(3)24(28)25(35-20(5)31)26(33)29(23,27)8/h11,13,15,18,21,23-25H,9-10,12,14,16H2,1-8H3/t18-,21?,23+,24-,25+,27-,28-,29-/m1/s1
SMILES	C[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CCC[C@]3(C)CC(CC=C(C)C)OC(=O)C)C)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Liang, Zizhen; Zhang, Tiantian; Zhang, Xiaoqian; Zhang, Jia; Zhao, Changqi An alkaloid and a steroid from the endophytic fungus Aspergillus fumigatus Molecules 2015 20 (1) 1424-1433.
DOI	10.3390/molecules20011424	PMID	25594349

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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