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Compounds

COMPOUND NPA002720

STRUCTURE

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PROPERTIES

NPAID	NPA002720
CLUSTER ID	16
NODE ID	16
NAME	Pandangolide 2
FORMULA	C14H22O6S
MOLECULAR WEIGHT (Da)	318.3910
ACCURATE MASS (Da)	318.1137
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	isolate I96S215
InChIKey	VVKPWHINRBQMFJ-UHFFFAOYSA-N
InChI	InChI=1S/C14H22O6S/c1-9-5-3-2-4-6-10(15)14(19)11(7-13(18)20-9)21-8-12(16)17/h9-11,15H,2-8H2,1H3,(H,16,17)
SMILES	CC1CCCCCC(C(=O)C(CC(=O)O1)SCC(=O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Smith, C J; Abbanat, D; Bernan, V S; Maiese, W M; Greenstein, M; Jompa, J; Tahir, A; Ireland, C M Novel polyketide metabolites from a species of marine fungi Journal of Natural Products 2000 63 (1) 142-145.
DOI	10.1021/np990361w	PMID	10650098

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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