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Compounds

COMPOUND NPA001845

STRUCTURE

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PROPERTIES

NPAID	NPA001845
CLUSTER ID	416
NODE ID	375
NAME	Pyrenulic acid H
FORMULA	C26H36O5
MOLECULAR WEIGHT (Da)	428.5690
ACCURATE MASS (Da)	428.2563
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pyrenula
ORIGIN SPECIES	sp.
InChIKey	RNNQLHOUBURQQV-QWFBGHQASA-N
InChI	InChI=1S/C26H36O5/c1-6-16(3)25-18(5)26(30)17(4)14-19-13-15(2)11-12-20(19)23(26)24(29)21(31-25)9-7-8-10-22(27)28/h7-11,14,16,19-21,23-25,29-30H,5-6,12-13H2,1-4H3,(H,27,28)/b9-7+,10-8+/t16-,19+,20-,21-,23-,24-,25-,26-/m0/s1
SMILES	CC[C@H](C)[C@H]1C(=C)[C@@]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)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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