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Compounds

COMPOUND NPA017887

STRUCTURE

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PROPERTIES

NPAID	NPA017887
CLUSTER ID	83
NODE ID	78
NAME	Brocazine A
FORMULA	C19H20N2O7S2
MOLECULAR WEIGHT (Da)	452.5100
ACCURATE MASS (Da)	452.0712
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	brocae MA-231
InChIKey	YKOHVJYVUXMVQJ-GBNOLNRVSA-N
InChI	InChI=1S/C19H20N2O7S2/c1-28-12-4-11(24)8-6-19-16(26)20-13-7(9(22)2-3-10(13)23)5-18(20,29-30-19)17(27)21(19)14(8)15(12)25/h2-3,7-8,10,12-15,23,25H,4-6H2,1H3/t7-,8+,10+,12+,13+,14+,15+,18-,19-/m1/s1
SMILES	CO[C@H]1CC(=O)[C@@H]2C[C@@]34C(=O)N5[C@H]6[C@H](C[C@]5(C(=O)N3[C@@H]2[C@H]1O)SS4)C(=O)C=C[C@@H]6O

ORIGINAL ISOLATION REFERENCE

CITATION	Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui Brocazines A-F, cytotoxic bisthiodiketopiperazine derivatives from Penicillium brocae MA-231, an endophytic fungus derived from the marine mangrove plant Avicennia marina Journal of Natural Products 2014 77 (8) 1921-1927.
DOI	10.1021/np500382k	PMID	25105722

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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