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Compounds

COMPOUND NPA014620

STRUCTURE

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PROPERTIES

NPAID	NPA014620
CLUSTER ID	1515
NODE ID	1244
NAME	22-acetylisocyclocitrinol A
FORMULA	C27H38O5
MOLECULAR WEIGHT (Da)	442.5960
ACCURATE MASS (Da)	442.2719
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	citrinum
InChIKey	IZVFLWXSSIJELF-RLEDVZOJSA-N
InChI	InChI=1S/C27H38O5/c1-5-6-25(32-16(2)28)27(4,31)24-10-9-22-21-15-23(30)18-13-17(7-8-19(29)14-18)20(21)11-12-26(22,24)3/h5-7,15,18-20,22,24-25,29,31H,8-14H2,1-4H3/b6-5+/t18-,19-,20+,22-,24-,25-,26-,27?/m0/s1
SMILES	C/C=C/[C@@H](C(C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4C[C@H](CC=C3C4)O)C)O)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Amagata, Taro; Amagata, Akiko; Tenney, Karen; Valeriote, Frederick A; Lobkovsky, Emil; Clardy, Jon; Crews, Phillip Unusual C25 steroids produced by a sponge-derived Penicillium citrinum Organic Letters 2003 5 (23) 4393-4396.
DOI	10.1021/ol0356800	PMID	14602008

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	Penicillium	MycoBank	5073

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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