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Compounds

COMPOUND NPA014531

STRUCTURE

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PROPERTIES

NPAID	NPA014531
CLUSTER ID	871
NODE ID	753
NAME	Pentalenolactone
FORMULA	C15H16O5
MOLECULAR WEIGHT (Da)	276.2880
ACCURATE MASS (Da)	276.0998
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	NUPNVWUYFVEAIT-UJJBCWTCSA-N
InChI	InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1
SMILES	C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Takeuchi, S; Ogawa, Y; Yonehara, H The structure of pentalenolactone (PA-132) Tetrahedron Letters 1969 (32) 2737-2740.
DOI	10.1016/s0040-4039(01)88256-3	PMID	5808206

ORIGINAL ISOLATION TAXONOMY

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

CLASSYFIRE

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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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