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Compounds

COMPOUND NPA011976

STRUCTURE

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PROPERTIES

NPAID	NPA011976
CLUSTER ID	2160
NODE ID	1722
NAME	3874 H1
FORMULA	C58H86N2O18
MOLECULAR WEIGHT (Da)	1099.3220
ACCURATE MASS (Da)	1098.5876
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	sp. (HAG 003874)
InChIKey	FNCPECYULVHYCJ-PAFCVIRNSA-N
InChI	InChI=1S/C58H86N2O18/c1-35-17-14-12-10-8-6-4-5-7-9-11-13-15-20-46(76-57-54(71)52(60)53(70)37(3)75-57)32-49-51(56(72)73)48(68)34-58(74,78-49)33-45(66)29-43(64)27-40(61)18-16-19-41(62)28-44(65)31-50(69)77-55(35)36(2)21-26-42(63)30-47(67)38-22-24-39(59)25-23-38/h4-15,17,20,22-25,35-37,40-46,48-49,51-55,57,61-66,68,70-71,74H,16,18-19,21,26-34,59-60H2,1-3H3,(H,72,73)/b5-4-,8-6-,9-7+,12-10+,13-11+,17-14+,20-15+/t35?,36?,37-,40?,41?,42?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57?,58?/m1/s1
SMILES	C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CCCC(CC(CC(=O)OC(C(/C=C/C=C/C=C\C=C/C=C/C=C/C=C2)C)C(C)CCC(CC(=O)C4=CC=C(C=C4)N)O)O)O)O)O)O)O)O)C(=O)O)O)N)O

ORIGINAL ISOLATION REFERENCE

CITATION	Vertesy, Laszlo; Aretz, Werner; Ehlers, Eberhard; Hawser, Stephen; Isert, Dieter; Knauf, Martin; Kurz, Michael; Schiell, Matthias; Vogel, Martin; Wink, Joachim 3874 H1 and H3, novel antifungal heptaene antibiotics produced by Streptomyces sp. HAG 003874 Journal of Antibiotics 1998 51 (10) 921-928.
DOI	10.7164/antibiotics.51.921	PMID	9917005

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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