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Compounds

COMPOUND NPA015401

STRUCTURE

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PROPERTIES

NPAID	NPA015401
CLUSTER ID	279
NODE ID	253
NAME	Verticillin B
FORMULA	C30H28N6O7S4
MOLECULAR WEIGHT (Da)	712.8570
ACCURATE MASS (Da)	712.0902
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Verticillium
ORIGIN SPECIES	sp. TM-759
InChIKey	YABFNIMWFFFBHC-LRESJZTJSA-N
InChI	InChI=1S/C30H28N6O7S4/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1
SMILES	C[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)[C@]67[C@@H]([C@]89C(=O)N([C@](C(=O)N8[C@H]6NC1=CC=CC=C71)(SS9)CO)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Minato, Hitoshi; Matsumoto, Makoto; Katayama, Teruaki Studies on the metabolites of Verticillium sp. Structures of verticillins A, B, and C Journal of the Chemical Society, Perkin Transactions 1 1973 1819-1825.
DOI	10.1039/p19730001819	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	Glomerellales	MycoBank	1028384
Family	Plectosphaerellaceae	MycoBank	1033978
Genus	Verticillium	MycoBank	1036719

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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