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Compounds

COMPOUND NPA023084

STRUCTURE

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PROPERTIES

NPAID	NPA023084
CLUSTER ID	873
NODE ID	755
NAME	Pretrichodermamide E
FORMULA	C21H24N2O9S2
MOLECULAR WEIGHT (Da)	512.5620
ACCURATE MASS (Da)	512.0923
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp.
InChIKey	PURMOBRKHQNGMM-YIKPZMDPSA-N
InChI	InChI=1S/C21H24N2O9S2/c1-22-12-16(9-4-5-11(30-2)15(31-3)13(9)25)33-34-21(19(22)28)8-20(29)7-6-10(24)14(26)17(20)32-23(21)18(12)27/h4-7,10,12,14,16-17,24-26,29H,8H2,1-3H3/t10-,12+,14+,16-,17-,20+,21+/m0/s1
SMILES	CN1[C@@H]2[C@@H](SS[C@@]3(C1=O)C[C@@]4(C=C[C@@H]([C@H]([C@@H]4ON3C2=O)O)O)O)C5=C(C(=C(C=C5)OC)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Yurchenko, Anton N.; Smetanina, Olga F.; Ivanets, Elena V.; Kalinovsky, Anatoly I.; Khudyakova, Yuliya V.; Kirichuk, Natalya N.; Popov, Roman S.; Bokemeyer, Carsten; Von Amsberg, Gunhild; Chingizova, Ekaterina A.; Afiyatullov, Shamil Sh.; Dyshlovoy, Sergey A. Pretrichodermamides D-F from a marine algicolous fungus Penicillium sp. KMM 4672 Marine Drugs 2016 14 (7) None.
DOI	10.3390/md14070122	PMID	27355960

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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