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Compounds

COMPOUND NPA024982

STRUCTURE

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PROPERTIES

NPAID	NPA024982
CLUSTER ID	7607
NODE ID	5204
NAME	Looekeyolide A
FORMULA	C32H57NO11S
MOLECULAR WEIGHT (Da)	663.8710
ACCURATE MASS (Da)	663.3652
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Roseofilum
ORIGIN SPECIES	reptotaenium
InChIKey	XFENGRLEXFEMMP-XQOJDCRESA-N
InChI	InChI=1S/C32H57NO11S/c1-10-11-23-19(4)22(34)17-32(39)31(6,38)27(41-8)15-26(44-32)20(5)25(40-7)16-28(35)42-24(12-13-45-9)29(36)33-21(14-18(2)3)30(37)43-23/h18-27,34,38-39H,10-17H2,1-9H3,(H,33,36)/t19-,20-,21+,22+,23+,24-,25-,26+,27+,31+,32+/m0/s1
SMILES	CCC[C@@H]1[C@H]([C@@H](C[C@@]2([C@]([C@@H](C[C@@H](O2)[C@H]([C@H](CC(=O)O[C@H](C(=O)N[C@@H](C(=O)O1)CC(C)C)CCSC)OC)C)OC)(C)O)O)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Gunasekera SP; Meyer JL; Ding Y; Abboud KA; Luo D; Campbell JE; Angerhofer A; Goodsell JL; Raymundo LJ; Liu J; Ye T; Luesch H; Teplitski M; Paul VJ Chemical and Metagenomic Studies of the Lethal Black Band Disease of Corals Reveal Two Broadly Distributed, Redox-Sensitive Mixed Polyketide/Peptide Macrocycles. Journal of Natural Products 2019 82 (1) 111-121.
DOI	10.1021/acs.jnatprod.8b00804	PMID	30636420

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Oscillatoriales	LPSN	1150
Family	Coleofasciculaceae	LPSN	1892251
Genus	Roseofilum	LPSN	1233426

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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