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Compounds

COMPOUND NPA001312

STRUCTURE

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PROPERTIES

NPAID	NPA001312
CLUSTER ID	873
NODE ID	755
NAME	Adametizine B
FORMULA	C21H24N2O9S2
MOLECULAR WEIGHT (Da)	512.5620
ACCURATE MASS (Da)	512.0923
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	adametzioides AS-53
InChIKey	NQGNMVJXQJSYCA-FEHKQZEWSA-N
InChI	InChI=1S/C21H24N2O9S2/c1-22-13-16(9-4-6-11(30-2)15(31-3)14(9)26)33-34-21(19(22)28)8-20(29)12(25)7-5-10(24)17(20)32-23(21)18(13)27/h4-7,10,12-13,16-17,24-26,29H,8H2,1-3H3/t10-,12-,13-,16+,17+,20+,21-/m1/s1
SMILES	CN1[C@@H]2[C@@H](SS[C@@]3(C1=O)C[C@@]4([C@@H](C=C[C@H]([C@@H]4ON3C2=O)O)O)O)C5=C(C(=C(C=C5)OC)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Liu, Yang; Li, Xiao-Ming; Meng, Ling-Hong; Jiang, Wen-Li; Xu, Gang-Ming; Huang, Cai-Guo; Wang, Bin-Gui Bisthiodiketopiperazines and Acorane Sesquiterpenes Produced by the Marine-Derived Fungus Penicillium adametzioides AS-53 on Different Culture Media Journal of Natural Products 2015 78 (6) 1294-1299.
DOI	10.1021/acs.jnatprod.5b00102	PMID	26039736

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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