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Compounds

COMPOUND NPA006606

STRUCTURE

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PROPERTIES

NPAID	NPA006606
CLUSTER ID	83
NODE ID	78
NAME	Brocazine C
FORMULA	C18H20N2O7S2
MOLECULAR WEIGHT (Da)	440.4990
ACCURATE MASS (Da)	440.0712
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	brocae MA-231
InChIKey	LPUHZOUWCQALDK-LENHPZMJSA-N
InChI	InChI=1S/C18H20N2O7S2/c21-8-1-2-9(22)12-6(8)4-17-16(27)20-13-7(10(23)3-11(24)14(13)25)5-18(20,29-28-17)15(26)19(12)17/h1-2,6-9,11-14,21-22,24-25H,3-5H2/t6-,7+,8+,9+,11+,12+,13+,14+,17-,18-/m1/s1
SMILES	C1[C@@H]([C@@H]([C@@H]2[C@H](C1=O)C[C@]34N2C(=O)[C@@]5(C[C@@H]6[C@H](C=C[C@@H]([C@H]6N5C3=O)O)O)SS4)O)O

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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