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Compounds

COMPOUND NPA027764

STRUCTURE

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PROPERTIES

NPAID	NPA027764
CLUSTER ID	4338
NODE ID	3193
NAME	Borrelidin I
FORMULA	C30H49NO7
MOLECULAR WEIGHT (Da)	535.7220
ACCURATE MASS (Da)	535.3509
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	rochei SCSIO ZJ89
InChIKey	WQTIQBNENBKLFZ-ZCMWKSJHSA-N
InChI	InChI=1S/C30H49NO7/c1-18-13-19(2)15-21(4)29(35)23(17-31-22(5)32)9-6-7-12-27(24-10-8-11-25(24)30(36)37)38-28(34)16-26(33)20(3)14-18/h6-7,9,18-21,24-27,29,33,35H,8,10-17H2,1-5H3,(H,31,32)(H,36,37)/b7-6+,23-9-/t18-,19+,20-,21-,24+,25+,26-,27-,29-/m0/s1
SMILES	CC(=O)NC/C1=C/C=C/C[C@@H]([C@@H]2CCC[C@H]2C(=O)O)OC(=O)C[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@H](C)[C@@H]1O

ORIGINAL ISOLATION REFERENCE

CITATION	Sun, Jianbin; Shao, Junli; Sun, Changli; Song, Yongxiang; Li, Qinglian; Lu, Laichun; Hu, Yunfeng; Gui, Chun; Zhang, Hua; Ju, Jianhua Borrelidins F–I, cytotoxic and cell migration inhibiting agents from mangrove-derived Streptomyces rochei SCSIO ZJ89 Bioorganic and Medicinal Chemistry 2018 26 (8) 1488-1494.
DOI	10.1016/j.bmc.2018.01.010	PMID	29452840

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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