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Compounds

COMPOUND NPA009638

STRUCTURE

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PROPERTIES

NPAID	NPA009638
CLUSTER ID	187
NODE ID	175
NAME	Spirangien N
FORMULA	C40H64O9
MOLECULAR WEIGHT (Da)	688.9430
ACCURATE MASS (Da)	688.4550
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum (strain So ce90)
InChIKey	WIONURARAAVKLU-HFJIUKHSSA-N
InChI	InChI=1S/C40H64O9/c1-10-25(2)21-27(4)37(46)31(8)39-29(6)33(41)24-40(49-39)34(42)22-28(5)38(48-40)30(7)36(45)26(3)19-17-15-13-11-12-14-16-18-20-32(47-9)23-35(43)44/h10-20,26-34,36-39,41-42,45-46H,21-24H2,1-9H3,(H,43,44)/b12-11-,15-13+,16-14+,19-17-,20-18-,25-10+/t26-,27-,28-,29+,30-,31+,32+,33+,34-,36-,37-,38-,39-,40+/m0/s1
SMILES	C/C=C(\C)/C[C@H](C)[C@@H]([C@@H](C)[C@@H]1[C@@H]([C@@H](C[C@@]2(O1)[C@H](C[C@@H]([C@H](O2)[C@@H](C)[C@H]([C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)O)C)O)O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Bruns, Nicole; Collisi, Wera; Bernecker, Steffen; Stadler, Marc; Richter, Christian; Schwalbe, Harald; Kalesse, Markus Spirangien derivatives from the myxobacterium Sorangium cellulosum: Isolation, structure elucidation, and biological activity Journal of Organic Chemistry 2015 2015 (4) 847-857.
DOI	10.1002/ejoc.201403353	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Deltaproteobacteria	LPSN	28221
Order	Myxococcales	LPSN	29
Family	Polyangiaceae	LPSN	49
Genus	Sorangium	LPSN	39643

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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