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Compounds

COMPOUND NPA029011

STRUCTURE

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PROPERTIES

NPAID	NPA029011
CLUSTER ID	1549
NODE ID	1271
NAME	Stemphyloxin I
FORMULA	C21H34O6
MOLECULAR WEIGHT (Da)	382.4970
ACCURATE MASS (Da)	382.2355
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Stemphylium
ORIGIN SPECIES	botryosum
InChIKey	YRECHDUAXCBBOZ-HOCCXODSSA-N
InChI	InChI=1S/C21H34O6/c1-6-13(11-23)17-20(4,15(24)7-8-22)16-12(2)9-19(3,26)10-14(16)18(25)21(17,5)27/h7-8,12-14,16-17,22-23,26-27H,6,9-11H2,1-5H3/b8-7-/t12-,13+,14+,16+,17-,19-,20-,21+/m1/s1
SMILES	CC[C@@H](CO)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)/C=C\O

ORIGINAL ISOLATION REFERENCE

CITATION	Barash I; Manulis S; Kashman Y; Springer JP; Chen MH; Clardy J; Strobel GA Crystallization and X-ray Analysis of Stemphyloxin I, a Phytotoxin from Stemphylium botryosum. Science 1983 220 (4601) 1065-1066.
DOI	10.1126/science.220.4601.1065	PMID	17754554

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	Pleosporaceae	MycoBank	28556
Genus	Stemphylium	MycoBank	95729

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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