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Compounds

COMPOUND NPA012735

STRUCTURE

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PROPERTIES

NPAID	NPA012735
CLUSTER ID	2677
NODE ID	2078
NAME	Brasilicardin A
FORMULA	C45H68N2O16
MOLECULAR WEIGHT (Da)	893.0370
ACCURATE MASS (Da)	892.4569
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nocardia
ORIGIN SPECIES	brasiliensis IFM 0406
InChIKey	SAZHWKBRJJLWKC-AWWLABOASA-N
InChI	InChI=1S/C45H68N2O16/c1-20-12-13-30-44(6,25(20)17-26(58-8)31(46)39(55)56)15-14-29-43(4,5)38(54)27(18-45(29,30)7)60-42-35(53)37(36(21(2)59-42)62-40(57)23-10-9-11-24(50)16-23)63-41-32(47-22(3)49)34(52)33(51)28(19-48)61-41/h9-12,16,21,25-38,41-42,48,50-54H,13-15,17-19,46H2,1-8H3,(H,47,49)(H,55,56)/t21-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38+,41-,42-,44-,45+/m0/s1
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@]3([C@H](CC[C@@]4([C@@H]3CC=C([C@@H]4C[C@@H]([C@@H](C(=O)O)N)OC)C)C)C([C@@H]2O)(C)C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)OC(=O)C6=CC(=CC=C6)O

ORIGINAL ISOLATION REFERENCE

CITATION	Shigemori, Hideyuki; Komaki, Hisayuki; Yazawa, Katsukiyo; Mikami, Yuzuru; Nemoto, Akira; Tanaka, Yasushi; Sasaki, Takuma; In, Yasuko; Ishida, Toshimasa; Kobayashi, Jun'ichi Brasilicardin A. A Novel Tricyclic Metabolite with Potent Immunosuppressive Activity from Actinomycete Nocardiabrasiliensis Journal of Organic Chemistry 1998 63 (20) 6900.
DOI	10.1021/jo9807114	PMID	11672311

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Corynebacteriales	LPSN	85007
Family	Nocardiaceae	LPSN	85025
Genus	Nocardia	LPSN	1817

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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