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Compounds

COMPOUND NPA005446

STRUCTURE

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PROPERTIES

NPAID	NPA005446
CLUSTER ID	2677
NODE ID	2078
NAME	Brasilicardin B
FORMULA	C44H66N2O15
MOLECULAR WEIGHT (Da)	863.0110
ACCURATE MASS (Da)	862.4463
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nocardia
ORIGIN SPECIES	brasiliensis IFM0406
InChIKey	UXTLGDFTYRZDJZ-LLZWJAEPSA-N
InChI	InChI=1S/C44H66N2O15/c1-20-11-14-30-43(6,25(20)12-13-26(45)38(54)55)16-15-29-42(4,5)37(53)27(18-44(29,30)7)58-41-34(52)36(35(21(2)57-41)60-39(56)23-9-8-10-24(49)17-23)61-40-31(46-22(3)48)33(51)32(50)28(19-47)59-40/h8-11,17,21,25-37,40-41,47,49-53H,12-16,18-19,45H2,1-7H3,(H,46,48)(H,54,55)/t21-,25-,26-,27-,28+,29+,30-,31+,32+,33+,34+,35-,36-,37+,40-,41-,43-,44+/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]4CC[C@@H](C(=O)O)N)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	Komatsu, Kazusei; Tsuda, Masashi; Shiro, Motoo; Tanaka, Yasushi; Mikami, Yuzuru; Kobayashi, Jun'ichi Brasilicardins B-D, new tricyclic terpenoids [correction of terpernoids] from actinomycete Nocardia brasiliensis Bioorganic and Medicinal Chemistry 2004 12 (21) 5545-5551.
DOI	10.1016/j.bmc.2004.08.007	PMID	15465331

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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