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Compounds

COMPOUND NPA021326

STRUCTURE

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PROPERTIES

NPAID	NPA021326
CLUSTER ID	6023
NODE ID	537
NAME	1'14-dihydroxyisochainin
FORMULA	C33H54O12
MOLECULAR WEIGHT (Da)	642.7830
ACCURATE MASS (Da)	642.3615
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	cellulosae ATCC 12625
InChIKey	MELIVMKAQSVXIP-WXPXFEISSA-N
InChI	InChI=1S/C33H54O12/c1-4-12-27(39)30-28(40)18-24(36)16-22(34)15-23(35)17-25(37)19-29(41)32(43)31(42)20(2)13-10-8-6-5-7-9-11-14-26(38)21(3)45-33(30)44/h5-11,13-14,21-32,34-43H,4,12,15-19H2,1-3H3/b6-5+,9-7+,10-8+,14-11+,20-13-/t21-,22-,23+,24+,25+,26-,27-,28+,29+,30+,31-,32?/m0/s1
SMILES	CCC[C@@H]([C@@H]1[C@@H](C[C@@H](C[C@H](C[C@H](C[C@H](C[C@H](C([C@H](/C(=C\C=C\C=C\C=C\C=C\[C@@H]([C@@H](OC1=O)C)O)/C)O)O)O)O)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Li Z; Rawlings BJ; Harrison PH; Vederas JC PRODUCTION OF NEW POLYENE ANTIBIOTICS BY STREPTOMYCES CELLULOSAE AFTER ADDITION OF ETHYL (Z)-16-PHENYLHEXADEC-9-ENOATE Journal of Antibiotics 1989 42 (4) 577-584.
DOI	10.7164/antibiotics.42.577	PMID	2722673

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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