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Compounds

COMPOUND NPA018948

STRUCTURE

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PROPERTIES

NPAID	NPA018948
CLUSTER ID	16
NODE ID	16
NAME	(6S,7R,9R)-6,7-dihydroxy-9-propylnon-4-eno-9-lactone
FORMULA	C12H20O4
MOLECULAR WEIGHT (Da)	228.2880
ACCURATE MASS (Da)	228.1362
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phomopsis
ORIGIN SPECIES	sp. HCCB03520
InChIKey	OGGQXAHFTKUSHF-MQZCMQEASA-N
InChI	InChI=1S/C12H20O4/c1-2-5-9-8-11(14)10(13)6-3-4-7-12(15)16-9/h3,6,9-11,13-14H,2,4-5,7-8H2,1H3/b6-3-/t9-,10+,11-/m1/s1
SMILES	CCC[C@@H]1C[C@H]([C@H](/C=C\CCC(=O)O1)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Yang, Zhijun; Ge, Mei; Yin, Yu; Chen, Yi; Luo, Minyu; Chen, Daijie A Novel Phytotoxic Nonenolide from Phomopsis sp. HCCB03520 Chemistry and Biodiversity 2012 9 (2) 403-408.
DOI	10.1002/cbdv.201100080	PMID	22344916

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Phomopsis	MycoBank	34399

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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