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Compounds

COMPOUND NPA002813

STRUCTURE

Image structure

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA002813
CLUSTER ID	1632
NODE ID	1338
NAME	1-epibotrydial
FORMULA	C17H26O5
MOLECULAR WEIGHT (Da)	310.3900
ACCURATE MASS (Da)	310.1780
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Botrytis
ORIGIN SPECIES	cinerea
InChIKey	SJFIYVCSGNWVPJ-SDLFRHKASA-N
InChI	InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16-,17-/m1/s1
SMILES	C[C@@H]1C[C@@H]([C@@H]2[C@]([C@@H]1C=O)([C@@](CC2(C)C)(C)C=O)O)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Durán-Patrón, Rosa; Hernández-Galán, Rosario; Rebordinos, Laureana G; Cantoral, Jesús M; Collado, Isidro G Structure-activity relationships of new phytotoxic metabolites with the botryane skeleton from Botrytis cinerea Tetrahedron 1999 55 (8) 2389-2400.
DOI	10.1016/s0040-4020(99)00032-0	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Leotiomycetes	MycoBank	147548
Order	Helotiales	MycoBank	5178
Family	Sclerotiniaceae	MycoBank	28983
Genus	Botrytis	MycoBank	33196

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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