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Compounds

COMPOUND NPA013957

STRUCTURE

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PROPERTIES

NPAID	NPA013957
CLUSTER ID	2972
NODE ID	52
NAME	methyl botryolate
FORMULA	C18H30O6
MOLECULAR WEIGHT (Da)	342.4320
ACCURATE MASS (Da)	342.2042
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Botrytis
ORIGIN SPECIES	cinerea
InChIKey	DZXAXKUHDLGMSG-KLUDYHNTSA-N
InChI	InChI=1S/C18H30O6/c1-10-7-12(24-11(2)20)14-16(3,4)8-17(5,9-19)18(14,22)13(10)15(21)23-6/h10,12-14,19,22H,7-9H2,1-6H3/t10-,12+,13-,14+,17-,18-/m1/s1
SMILES	C[C@@H]1C[C@@H]([C@@H]2[C@]([C@H]1C(=O)OC)([C@@](CC2(C)C)(C)CO)O)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Duran-Patron, Rosa; Hernandez-Galan, Rosario; Collado, Isidro G. Secobotrytriendiol and related sesquiterpenoids: New phytotoxic metabolites from Botrytis cinerea Journal of Natural Products 2000 63 (2) 182-184.
DOI	10.1021/np990252h	PMID	10691704

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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