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Compounds

COMPOUND NPA003687

STRUCTURE

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PROPERTIES

NPAID	NPA003687
CLUSTER ID	416
NODE ID	375
NAME	Pyrenulic acid C
FORMULA	C26H36O6
MOLECULAR WEIGHT (Da)	444.5680
ACCURATE MASS (Da)	444.2512
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pyrenula
ORIGIN SPECIES	sp.
InChIKey	ROAXMKARTPGXAB-YWHGVYKSSA-N
InChI	InChI=1S/C26H36O6/c1-15-9-10-19-18(13-15)14-17(3)22-25(4)24(16(2)11-12-31-25)32-20(23(29)26(19,22)30)7-5-6-8-21(27)28/h5-9,14,16,18-20,22-24,29-30H,10-13H2,1-4H3,(H,27,28)/b7-5+,8-6+/t16-,18+,19-,20-,22+,23-,24-,25+,26-/m0/s1
SMILES	C[C@H]1CCO[C@]2([C@H]1O[C@H]([C@@H]([C@]3([C@@H]2C(=C[C@@H]4[C@@H]3CC=C(C4)C)C)O)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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