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Compounds

COMPOUND NPA010262

STRUCTURE

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PROPERTIES

NPAID	NPA010262
CLUSTER ID	416
NODE ID	375
NAME	Pyrenulic acid E
FORMULA	C26H38O5
MOLECULAR WEIGHT (Da)	430.5850
ACCURATE MASS (Da)	430.2719
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pyrenula
ORIGIN SPECIES	sp.
InChIKey	NEZOHSNNESSNOS-OMBAGNCPSA-N
InChI	InChI=1S/C26H38O5/c1-6-16(3)25-26(5,30)23-17(4)14-18-13-15(2)11-12-19(18)22(23)24(29)20(31-25)9-7-8-10-21(27)28/h7-11,14,16,18-20,22-25,29-30H,6,12-13H2,1-5H3,(H,27,28)/b9-7+,10-8+/t16-,18+,19-,20-,22+,23-,24-,25-,26+/m1/s1
SMILES	CC[C@@H](C)[C@@H]1[C@@]([C@H]2[C@H]([C@@H]3CC=C(C[C@H]3C=C2C)C)[C@@H]([C@H](O1)/C=C/C=C/C(=O)O)O)(C)O

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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