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Compounds

COMPOUND NPA021122

STRUCTURE

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PROPERTIES

NPAID	NPA021122
CLUSTER ID	46
NODE ID	11
NAME	Marcellomycin
FORMULA	C42H55NO17
MOLECULAR WEIGHT (Da)	845.8920
ACCURATE MASS (Da)	845.3470
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Actinosporangium
ORIGIN SPECIES	sp. C-36,145 (ATCC 31127)
InChIKey	VJRAUFKOOPNFIQ-TVEKBUMESA-N
InChI	InChI=1S/C42H55NO17/c1-8-42(53)15-26(30-19(34(42)41(52)54-7)11-20-31(37(30)50)38(51)33-23(45)10-9-22(44)32(33)36(20)49)58-27-12-21(43(5)6)39(17(3)56-27)59-29-14-25(47)40(18(4)57-29)60-28-13-24(46)35(48)16(2)55-28/h9-11,16-18,21,24-29,34-35,39-40,44-48,50,53H,8,12-15H2,1-7H3/t16-,17-,18-,21-,24-,25-,26-,27-,28-,29-,34-,35+,39+,40+,42+/m0/s1
SMILES	CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)O)O)O)N(C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Bradner WT; Misiek M BOHEMIC ACID COMPLEX. BIOLOGICAL CHARACTERIZATION OF THE ANTIBIOTICS, MUSETTAMYCIN AND MARCELLOMYCIN Journal of Antibiotics 1977 30 (6) 519-522.
DOI	10.7164/antibiotics.30.519	PMID	885811

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Actinosporangium	LPSN	-

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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