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Compounds

COMPOUND NPA004462

STRUCTURE

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PROPERTIES

NPAID	NPA004462
CLUSTER ID	16
NODE ID	16
NAME	2,3,10,11-tetrahydropyrenophorol
FORMULA	C16H28O6
MOLECULAR WEIGHT (Da)	316.3940
ACCURATE MASS (Da)	316.1886
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Phoma
ORIGIN SPECIES	sp.
InChIKey	XEOQWLXPGVNNSZ-MQYQWHSLSA-N
InChI	InChI=1S/C16H28O6/c1-11-3-5-13(17)8-10-16(20)22-12(2)4-6-14(18)7-9-15(19)21-11/h11-14,17-18H,3-10H2,1-2H3/t11-,12-,13+,14+/m1/s1
SMILES	C[C@@H]1CC[C@@H](CCC(=O)O[C@@H](CC[C@@H](CCC(=O)O1)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Krohn, Karsten; Farooq, Umar; Flörke, Ulrich; Schulz, Barbara; Draeger, Siegfried; Pescitelli, Gennaro; Salvadori, Piero; Antus, Sandor; Kurtán, Tibor Secondary Metabolites Isolated from an Endophytic Phoma sp.-Absolute Configuration of Tetrahydropyrenophorol Using the Solid-State TDDFT CD Methodology European Journal of Organic Chemistry 2007 2007 (19) 3206-3211.
DOI	10.1002/ejoc.200601128	PMID	25855820

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Genus	Phoma	MycoBank	37463

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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