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Compounds

COMPOUND NPA023975

STRUCTURE

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PROPERTIES

NPAID	NPA023975
CLUSTER ID	6438
NODE ID	4451
NAME	Alternapyrone E
FORMULA	C28H40O7
MOLECULAR WEIGHT (Da)	488.6210
ACCURATE MASS (Da)	488.2774
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Parastagonospora
ORIGIN SPECIES	nodorum
InChIKey	KVOSGCOKGACRAO-NZDSKQBCSA-N
InChI	InChI=1S/C28H40O7/c1-16(12-18(3)25-20(5)24(30)21(6)27(33)34-25)11-17(2)13-23(26(31)32)9-8-10-28(15-29)14-19(4)22(7)35-28/h11,13-14,18,22-23,29-30H,8-10,12,15H2,1-7H3,(H,31,32)/t18?,22-,23?,28+/m0/s1
SMILES	C[C@H]1C(=C[C@](O1)(CCCC(C=C(C)C=C(C)CC(C)C2=C(C(=C(C(=O)O2)C)O)C)C(=O)O)CO)C

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Hang; Hu, Jinyu; Wei, Haochen; Solomon, Peter S.; Vuong, Daniel; Lacey, Ernest; Stubbs, Keith A.; Piggott, Andrew M.; Chooi, Yit-Heng Chemical Ecogenomics-Guided Discovery of Phytotoxic α-Pyrones from the Fungal Wheat Pathogen Parastagonospora nodorum Organic Letters 2018 20 (19) 6148-6152.
DOI	10.1021/acs.orglett.8b02617	PMID	30226784

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
Family	Phaeosphaeriaceae	MycoBank	5020
Genus	Parastagonospora	MycoBank	1351751

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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