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Compounds

COMPOUND NPA029032

STRUCTURE

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PROPERTIES

NPAID	NPA029032
CLUSTER ID	279
NODE ID	253
NAME	11′-deoxyverticillin A
FORMULA	C30H28N6O5S4
MOLECULAR WEIGHT (Da)	680.8590
ACCURATE MASS (Da)	680.1004
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp.
InChIKey	IMORFARNICQOLW-MTBOUJTPSA-N
InChI	InChI=1S/C30H28N6O5S4/c1-25-21(38)35-19-27(14-9-5-7-11-16(14)31-19,13-28(35,44-42-25)23(40)33(25)3)29-15-10-6-8-12-17(15)32-20(29)36-22(39)26(2)34(4)24(41)30(36,18(29)37)45-43-26/h5-12,18-20,31-32,37H,13H2,1-4H3/t18-,19+,20+,25-,26-,27-,28-,29+,30-/m0/s1
SMILES	CN1C(=O)[C@@]23C[C@]4([C@@]56C7=CC=CC=C7N[C@@H]5N5C(=O)[C@]7(C)SS[C@]5(C(=O)N7C)[C@H]6O)C5=CC=CC=C5N[C@@H]4N2C(=O)[C@]1(C)SS3

ORIGINAL ISOLATION REFERENCE

CITATION	Byeng Wha Son , Paul R. Jensen , Christopher A. Kauffman, William Fenical New Cytotoxic Epidithiodioxopiperazines Related to Verticillin A From A Marine Isolate of the Fungus Penicillium Natural Product Letters 1999 13 (3) 213-222.
DOI	10.1080/10575639908048788	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

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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