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Compounds

COMPOUND NPA000929

STRUCTURE

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PROPERTIES

NPAID	NPA000929
CLUSTER ID	649
NODE ID	576
NAME	Pestaloporonin A
FORMULA	C16H24O5
MOLECULAR WEIGHT (Da)	296.3630
ACCURATE MASS (Da)	296.1624
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	sp.
InChIKey	OVMHQWGGGYITNW-BFHYXJOUSA-N
InChI	InChI=1S/C16H24O5/c1-16(2)5-4-11(8-17)14-13(20-3)7-10(9-21-14)6-12(18)15(16)19/h4,7,12-14,17-18H,5-6,8-9H2,1-3H3/t12-,13+,14+/m0/s1
SMILES	CO[C@@H]1C=C2CO[C@@H]1C(CO)=CCC(C)(C)C(=O)[C@@H](O)C2

ORIGINAL ISOLATION REFERENCE

CITATION	Hwang, In Hyun; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T. Pestaloporonins: Caryophyllene-Derived Sesquiterpenoids from a Fungicolous Isolate of Pestalotiopsis sp Organic Letters 2015 17 (17) 4284-4287.
DOI	10.1021/acs.orglett.5b02080	PMID	26287562

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Amphisphaeriales	MycoBank	-
Family	Sporocadaceae	MycoBank	1812776
Genus	Pestalotiopsis	MycoBank	37840

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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