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Compounds

COMPOUND NPA018316

STRUCTURE

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PROPERTIES

NPAID	NPA018316
CLUSTER ID	187
NODE ID	175
NAME	Spirangien O
FORMULA	C41H66O9
MOLECULAR WEIGHT (Da)	702.9700
ACCURATE MASS (Da)	702.4707
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum (strain So ce90)
InChIKey	AFMLAWKHRYYCHM-WFLPEEADSA-N
InChI	InChI=1S/C41H66O9/c1-11-26(2)22-28(4)38(46)32(8)40-30(6)34(48-10)25-41(50-40)35(42)23-29(5)39(49-41)31(7)37(45)27(3)20-18-16-14-12-13-15-17-19-21-33(47-9)24-36(43)44/h11-21,27-35,37-40,42,45-46H,22-25H2,1-10H3,(H,43,44)/b13-12-,16-14+,17-15+,20-18-,21-19-,26-11+/t27-,28-,29-,30+,31-,32+,33+,34+,35+,37-,38-,39-,40-,41+/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)OC)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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