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Compounds

COMPOUND NPA023305

STRUCTURE

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PROPERTIES

NPAID	NPA023305
CLUSTER ID	7124
NODE ID	4903
NAME	Phocoenamicin B
FORMULA	C56H75ClO19
MOLECULAR WEIGHT (Da)	1087.6500
ACCURATE MASS (Da)	1086.4591
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Micromonospora
ORIGIN SPECIES	sp. CA-214671
InChIKey	PUHBXPNMGJNARB-OYAFMLSPSA-N
InChI	InChI=1S/C56H75ClO19/c1-23-12-11-17-53(8)20-31(22-58)30(19-36(61)55(10,70)29(7)59)21-56(53)48(67)38(50(69)76-56)47(66)54(9)33(23)14-13-32-39(54)24(2)18-25(3)44(32)74-52-43(65)46(40(62)27(5)71-52)75-51-42(64)41(63)45(28(6)72-51)73-49(68)37-26(4)34(57)15-16-35(37)60/h11-16,20,23-25,27-28,30,32-33,36,39-46,51-52,58,60-66,70H,17-19,21-22H2,1-10H3/t23-,24+,25-,27-,28-,30-,32+,33?,36+,39-,40-,41-,42-,43-,44+,45-,46+,51+,52+,53-,54-,55+,56-/m1/s1
SMILES	C[C@H]1C[C@H]([C@@H]([C@@H]2[C@@H]1[C@]3(C(C=C2)[C@@H](C=CC[C@@]4(C=C([C@@H](C[C@@]45C(=O)C(=C3O)C(=O)O5)C[C@@H]([C@](C)(C(=O)C)O)O)CO)C)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)OC(=O)C8=C(C=CC(=C8C)Cl)O)O)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Pérez-Bonilla, Mercedes; Oves-Costales, Daniel; De La Cruz, Mercedes; Kokkini, Maria; Martín, Jesús; Vicente, Francisca; Genilloud, Olga; Reyes, Fernando Phocoenamicins B and C, new antibacterial spirotetronates isolated from a marine Micromonospora sp. Marine Drugs 2018 16 (3) None.
DOI	10.3390/md16030095	PMID	29547589

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Micromonosporales	LPSN	85008
Family	Micromonosporaceae	LPSN	28056
Genus	Micromonospora	LPSN	1873

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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