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Compounds

COMPOUND NPA002863

STRUCTURE

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PROPERTIES

NPAID	NPA002863
CLUSTER ID	189
NODE ID	177
NAME	Spirodienal B
FORMULA	C33H56O7
MOLECULAR WEIGHT (Da)	564.8040
ACCURATE MASS (Da)	564.4026
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Sorangium
ORIGIN SPECIES	cellulosum
InChIKey	HIBXHLLAIDYISL-QKPYIBRLSA-N
InChI	InChI=1S/C33H56O7/c1-10-14-20(2)17-22(4)30(37)26(8)32-24(6)27(38-9)19-33(40-32)28(35)18-23(5)31(39-33)25(7)29(36)21(3)15-12-11-13-16-34/h11-16,21-32,35-37H,10,17-19H2,1-9H3/b13-11+,15-12-,20-14+/t21?,22?,23-,24+,25?,26?,27+,28-,29?,30?,31-,32-,33+/m0/s1
SMILES	CC/C=C(\C)/CC(C)C(C(C)[C@@H]1[C@@H]([C@@H](C[C@@]2(O1)[C@H](C[C@@H]([C@H](O2)C(C)C(C(C)/C=C\C=C\C=O)O)C)O)OC)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kwak, Jong Hwan; Ahn, Jong-Woong A new cytotoxic spiroketal from the myxobacterium Sorangium cellulosum Archives of Pharmacal Research 2009 32 (6) 841-844.
DOI	10.1007/s12272-009-1604-4	PMID	19557360

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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