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Compounds

COMPOUND NPA023312

STRUCTURE

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PROPERTIES

NPAID	NPA023312
CLUSTER ID	2164
NODE ID	163
NAME	28-acetoxy-12β,15α,25-trihydroxyergosta-4,6,8(14),22-tetraen-3-one
FORMULA	C30H42O6
MOLECULAR WEIGHT (Da)	498.6600
ACCURATE MASS (Da)	498.2981
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	alabamensis EN-547
InChIKey	ZQWAPIPOQSYCJS-LVMYIMMYSA-N
InChI	InChI=1S/C30H42O6/c1-17(7-8-20(28(3,4)35)16-36-18(2)31)23-14-25(33)27-22-10-9-19-13-21(32)11-12-29(19,5)24(22)15-26(34)30(23,27)6/h7-10,13,17,20,23-26,33-35H,11-12,14-16H2,1-6H3/t17-,20-,23-,24+,25+,26-,29+,30+/m1/s1
SMILES	C[C@H](C=C[C@H](COC(=O)C)C(C)(C)O)[C@H]1C[C@@H](C2=C3C=CC4=CC(=O)CC[C@@]4([C@H]3C[C@H]([C@]12C)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Yang, Sui-Qun; Li, Xiao-Ming; Li, Xin; Chi, Lu-Ping; Wang, Bin-Gui Two new diketomorpholine derivatives and a new highly conjugated ergostane-type steroid from the marine algal-derived endophytic fungus aspergillus alabamensis EN-547 Marine Drugs 2018 16 (4) None.
DOI	10.3390/md16040114	PMID	29614724

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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