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Compounds

COMPOUND NPA016676

STRUCTURE

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PROPERTIES

NPAID	NPA016676
CLUSTER ID	596
NODE ID	532
NAME	Halstoctacosanolide A
FORMULA	C48H76O12
MOLECULAR WEIGHT (Da)	845.1240
ACCURATE MASS (Da)	844.5337
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	halstedii HC34
InChIKey	GQHNSYURZJAIPC-IFGCVEQJSA-N
InChI	InChI=1S/C48H76O12/c1-11-38(49)36(10)41(52)26-43(54)42(53)23-29(3)22-32(6)45-27-40(51)31(5)16-14-12-13-15-30(4)39(50)25-37-18-17-35(9)48(58,60-37)20-19-28(2)21-33(7)46(56)44(55)24-34(8)47(57)59-45/h12-14,16,19,21,23-24,30-32,35-38,40-43,45-46,49,51-54,56,58H,11,15,17-18,20,22,25-27H2,1-10H3/b13-12+,16-14+,28-19-,29-23+,33-21+,34-24+
SMILES	CCC(C(C)C(CC(C(/C=C(\C)/CC(C)C1CC(C(/C=C/C=C/CC(C(=O)CC2CCC(C(O2)(C/C=C(\C=C(\C(C(=O)/C=C(/C(=O)O1)\C)O)/C)/C)O)C)C)C)O)O)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Tohyama, Shigehiro; Eguchi, Tadashi; Dhakal, Rabindra P.; Akashi, Tomoyoshi; Otsuka, Miyuki; Kakinuma, Katsumi Genome-inspired search for new antibiotics. Isolation and structure determination of new 28-membered polyketide macrolactones, halstoctacosanolides A and B, from Streptomyces halstedii HC34 Tetrahedron 2004 60 (18) 3999-4005.
DOI	10.1016/j.tet.2004.03.027	PMID	-

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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