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Compounds

COMPOUND NPA002295

STRUCTURE

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PROPERTIES

NPAID	NPA002295
CLUSTER ID	46
NODE ID	11
NAME	Grincamycin E
FORMULA	C49H60O17
MOLECULAR WEIGHT (Da)	921.0020
ACCURATE MASS (Da)	920.3831
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	lusitanus SCSIO LR32
InChIKey	PODCUTRKQPEUAQ-YVFZMJNESA-N
InChI	InChI=1S/C49H60O17/c1-21-31(50)9-13-38(59-21)63-35-11-15-40(61-23(35)3)65-48-25(5)58-37(18-33(48)52)26-7-8-27-42(44(26)54)46(56)29-17-28-30(47(57)43(29)45(27)55)19-49(6,20-34(28)53)66-41-16-12-36(24(4)62-41)64-39-14-10-32(51)22(2)60-39/h7-8,17,21-25,33,35-41,48,52,54,57H,9-16,18-20H2,1-6H3/t21-,22-,23-,24-,25+,33+,35-,36-,37+,38-,39-,40-,41-,48+,49+/m0/s1
SMILES	C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C6=C(C=C5C4=O)C(=O)C[C@](C6)(C)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8CCC(=O)[C@@H](O8)C)O)O)C)O[C@H]9CCC(=O)[C@@H](O9)C

ORIGINAL ISOLATION REFERENCE

CITATION	Huang, Hongbo; Yang, Tingting; Ren, Xiangmei; Liu, Jing; Song, Yongxiang; Sun, Aijun; Ma, Junying; Wang, Bo; Zhang, Yun; Huang, Caiguo; Zhang, Changsheng; Ju, Jianhua Cytotoxic angucycline class glycosides from the deep sea actinomycete Streptomyces lusitanus SCSIO LR32 Journal of Natural Products 2012 75 (2) 202-208.
DOI	10.1021/np2008335	PMID	22304344

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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