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Compounds

COMPOUND NPA013222

STRUCTURE

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PROPERTIES

NPAID	NPA013222
CLUSTER ID	122
NODE ID	116
NAME	12,13-Deoxytrichodermadiene
FORMULA	C23H30O4
MOLECULAR WEIGHT (Da)	370.4890
ACCURATE MASS (Da)	370.2144
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	verrucaria
InChIKey	XGEYKPJYISPKED-YSLZVJMJSA-N
InChI	InChI=1S/C23H30O4/c1-14-10-11-22(4)19(12-14)26-18-13-20(23(22,5)15(18)2)27-21(24)9-7-6-8-17-16(3)25-17/h6-9,12,16-20H,2,10-11,13H2,1,3-5H3/b8-6+,9-7-/t16-,17-,18-,19-,20-,22+,23-/m1/s1
SMILES	C[C@@H]1[C@H](O1)/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3C(=C)[C@]2([C@]4(CCC(=C[C@H]4O3)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Jarvis, Bruce B.; Vrudhula, Vivekananda M.; Midiwo, Jacob O.; Mazzola, Eugene P. New Trichoverroids from Myrothecium verrucaria: Verrol and 12,13-Deoxytrichodermadiene Journal of Organic Chemistry 1983 48 (15) 2576-2578.
DOI	10.1021/jo00163a031	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Stachybotryaceae	MycoBank	1667166
Genus	Myrothecium	MycoBank	5531

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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