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Compounds

COMPOUND NPA004009

STRUCTURE

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PROPERTIES

NPAID	NPA004009
CLUSTER ID	274
NODE ID	163
NAME	3β-acetoxyfern-9(11)-en-19-one
FORMULA	C32H50O3
MOLECULAR WEIGHT (Da)	482.7490
ACCURATE MASS (Da)	482.3760
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pyxine
ORIGIN SPECIES	berteriana
InChIKey	JSANFJCENIDTSC-XSPVRDDTSA-N
InChI	InChI=1S/C32H50O3/c1-19(2)23-18-24(34)27-30(23,7)16-17-31(8)22-10-11-25-28(4,5)26(35-20(3)33)13-14-29(25,6)21(22)12-15-32(27,31)9/h12,19,22-23,25-27H,10-11,13-18H2,1-9H3/t22-,23+,25-,26-,27+,29+,30+,31+,32-/m0/s1
SMILES	CC(C)[C@H]1CC(=O)[C@@H]2[C@@]1(CC[C@]3([C@]2(CC=C4[C@@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Maier, Marta S.; Rosso, María L.; Fazio, Alejandra T.; Adler, Mónica T.; Bertoni, María D. Fernene Triterpenoids from the Lichen Pyxine berteriana Journal of Natural Products 2009 72 (10) 1902-1904.
DOI	10.1021/np900442y	PMID	19848435

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Lecanoromycetes	MycoBank	147547
Order	Caliciales	MycoBank	1302181
Family	Caliciaceae	MycoBank	39937
Genus	Pyxine	MycoBank	205635

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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