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Compounds

COMPOUND NPA016650

STRUCTURE

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PROPERTIES

NPAID	NPA016650
CLUSTER ID	5110
NODE ID	1948
NAME	Secobotrytriene-10,12,15-triol
FORMULA	C15H24O3
MOLECULAR WEIGHT (Da)	252.3540
ACCURATE MASS (Da)	252.1725
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Botrytis
ORIGIN SPECIES	cinerea
InChIKey	WLPOYIWCPMYYGM-KGRKPJGKSA-N
InChI	InChI=1S/C15H24O3/c1-5-11(7-16)13-12(6-2)14(3,9-17)8-15(13,4)10-18/h5-6,16-18H,2,7-10H2,1,3-4H3/b11-5-/t14-,15+/m0/s1
SMILES	C/C=C(/CO)\C1=C([C@](C[C@]1(C)CO)(C)CO)C=C

ORIGINAL ISOLATION REFERENCE

CITATION	Duran-Patron, Rosa; Colmenares, Ana J.; Montes, Antonio; Hanson, James R.; Hernandez-Galan, Rosario; Collado, Isidro G. Studies on the biosynthesis of secobotryane skeleton Tetrahedron 2003 59 (33) 6267-6271.
DOI	10.1016/s0040-4020(03)01025-1	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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