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Compounds

COMPOUND NPA012231

STRUCTURE

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PROPERTIES

NPAID	NPA012231
CLUSTER ID	46
NODE ID	11
NAME	Marangucycline B
FORMULA	C31H28O9
MOLECULAR WEIGHT (Da)	544.5560
ACCURATE MASS (Da)	544.1733
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. SCSIO 11594
InChIKey	GYRDANFHHGXTKK-XIBFKZRZSA-N
InChI	InChI=1S/C31H28O9/c1-12-8-15-4-5-17-25(24(15)20(33)9-12)28(35)18-7-6-16(27(34)26(18)29(17)36)21-11-22-30(14(3)37-21)40-31-23(39-22)10-19(32)13(2)38-31/h4-9,13-14,21-23,30-31,33-34H,10-11H2,1-3H3/t13-,14+,21+,22+,23-,30+,31-/m0/s1
SMILES	C[C@@H]1[C@@H]2[C@@H](C[C@@H](O1)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=CC(=CC(=C65)O)C)O)O[C@H]7CC(=O)[C@@H](O[C@H]7O2)C

ORIGINAL ISOLATION REFERENCE

CITATION	Song, Yongxiang; Liu, Guangfu; Li, Jie; Huang, Hongbo; Zhang, Xing; Zhang, Hua; Ju, Jianhua Cytotoxic and antibacterial angucycline- and prodigiosin-analogues from the deep-sea derived Streptomyces sp. SCSIO 11594 Marine Drugs 2015 13 (3) 1304-1316.
DOI	10.3390/md13031304	PMID	25786061

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	Streptomyces	LPSN	1883

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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