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Compounds

COMPOUND NPA003083

STRUCTURE

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PROPERTIES

NPAID	NPA003083
CLUSTER ID	416
NODE ID	375
NAME	Pyrenulic acid D
FORMULA	C26H36O5
MOLECULAR WEIGHT (Da)	428.5690
ACCURATE MASS (Da)	428.2563
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pyrenula
ORIGIN SPECIES	sp.
InChIKey	PGBJDDGVFZUUMK-GRMCZHRFSA-N
InChI	InChI=1S/C26H36O5/c1-15-9-10-19-18(13-15)14-17(3)23-22(19)24(29)20(7-5-6-8-21(27)28)31-25-16(2)11-12-30-26(23,25)4/h5-9,14,16,18-20,22-25,29H,10-13H2,1-4H3,(H,27,28)/b7-5+,8-6+/t16-,18+,19-,20-,22+,23-,24-,25-,26+/m1/s1
SMILES	C[C@@H]1CCO[C@@]2([C@@H]1O[C@@H]([C@H]([C@@H]3[C@H]2C(=C[C@H]4[C@H]3CC=C(C4)C)C)O)/C=C/C=C/C(=O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Le, Duy Hoang; Takenaka, Yukiko; Hamada, Nobuo; Mizushina, Yoshiyuki; Tanahashi, Takao Polyketides from the cultured lichen mycobiont of a Vietnamese Pyrenula sp Journal of Natural Products 2014 77 (6) 1404-1412.
DOI	10.1021/np500143k	PMID	24926891

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Pyrenulales	MycoBank	100121
Family	Pyrenulaceae	MycoBank	146307
Genus	Pyrenula	MycoBank	146308

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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