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Compounds

COMPOUND NPA002115

STRUCTURE

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PROPERTIES

NPAID	NPA002115
CLUSTER ID	83
NODE ID	78
NAME	Penicibrocazine E
FORMULA	C20H24N2O6S2
MOLECULAR WEIGHT (Da)	452.5540
ACCURATE MASS (Da)	452.1076
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	brocae MA-231
InChIKey	QOXQVMHGUNMPOZ-BHACCYINSA-N
InChI	InChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10+,13+,14-,15+,16+,19+,20+/m0/s1
SMILES	CS[C@@]12C[C@H]3[C@@H](N1C(=O)[C@@]4(C[C@@H]5[C@@H](N4C2=O)[C@@H](C=CC5=O)O)SC)[C@H](CCC3=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Meng, Ling-Hong; Zhang, Peng; Li, Xiao-Ming; Wang, Bin-Gui Penicibrocazines A-E, five new sulfide diketopiperazines from the marine-derived endophytic fungus Penicillium brocae Marine Drugs 2015 13 (1) 276-287.
DOI	10.3390/md13010276	PMID	25574740

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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