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Compounds

COMPOUND NPA030894

STRUCTURE

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PROPERTIES

NPAID	NPA030894
CLUSTER ID	9005
NODE ID	3078
NAME	Pyrenosetin C
FORMULA	C25H33NO5
MOLECULAR WEIGHT (Da)	427.5410
ACCURATE MASS (Da)	427.2359
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pyrenochaetopsis
ORIGIN SPECIES	sp. FVE-001
InChIKey	LQXNTMMEAPEMLM-DMLHXFJKSA-N
InChI	InChI=1S/C25H33NO5/c1-13-6-8-17-16(10-13)11-14(2)20-18(9-7-15(3)28)25(22(30)24(17,20)4)21(29)19(12-27)26(5)23(25)31/h7,9,11,13,16-20,27H,6,8,10,12H2,1-5H3/t13-,16+,17-,18+,19+,20+,24+,25-/m0/s1
SMILES	CC(=O)C=C[C@@H]1[C@H]2C(C)=C[C@H]3C[C@@H](C)CC[C@@H]3[C@@]2(C)C(=O)[C@@]12C(=O)[C@@H](CO)N(C)C2=O

ORIGINAL ISOLATION REFERENCE

CITATION	Fan, Bicheng; Dewapriya, Pradeep; Li, Fengjie; Blümel, Martina; Tasdemir, Deniz Pyrenosetins A-C, new decalinoylspirotetramic acid derivatives isolated by bioactivity-based molecular networking from the seaweed-derived fungus Pyrenochaetopsis sp. FVE-001 Marine Drugs 2020 18 (1) 47.
DOI	10.3390/md18010047	PMID	31940767

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Pyrenochaetopsidaceae	MycoBank	2078572
Genus	Pyrenochaetopsis	MycoBank	798144

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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