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Compounds

COMPOUND NPA009570

STRUCTURE

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PROPERTIES

NPAID	NPA009570
CLUSTER ID	83
NODE ID	78
NAME	Brocazine B
FORMULA	C18H18N2O6S2
MOLECULAR WEIGHT (Da)	422.4840
ACCURATE MASS (Da)	422.0606
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	brocae MA-231
InChIKey	NOMAQNRAYYWNOP-IMHILIGISA-N
InChI	InChI=1S/C18H18N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1,3,7-8,11-14,23-24H,2,4-6H2/t7-,8+,11+,12+,13+,14+,17-,18-/m1/s1
SMILES	C1CC(=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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