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Compounds

COMPOUND NPA014168

STRUCTURE

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PROPERTIES

NPAID	NPA014168
CLUSTER ID	5095
NODE ID	3649
NAME	Sphaeric acid
FORMULA	C13H24O4
MOLECULAR WEIGHT (Da)	244.3310
ACCURATE MASS (Da)	244.1675
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Sphaeropsis
ORIGIN SPECIES	sp.
InChIKey	CFXMOECYUQUKMY-QWRGUYRKSA-N
InChI	InChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-11(13(16)17)10(2)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17)/t10-,11-/m0/s1
SMILES	CCCCCCCC[C@@H]([C@H](C)C(=O)O)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Wilkinson, Royce A.; Strobel, Gary; Stierle, Andrea Sphaeric acid, a new succinic acid derivative from a Sphaeropsis sp Journal of Natural Products 1999 62 (2) 358-360.
DOI	10.1021/np980372	PMID	10075787

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Botryosphaeriales	MycoBank	451869
Family	Botryosphaeriaceae	MycoBank	45131
Genus	Sphaeropsis	MycoBank	66737

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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