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Compounds

COMPOUND NPA009044

STRUCTURE

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PROPERTIES

NPAID	NPA009044
CLUSTER ID	3795
NODE ID	1240
NAME	8-[(5-carboxy-2,9-epoxy)benzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-1,2,3,4,4a,6,7,8,9,10,10a-dodecahydrophenanthrene
FORMULA	C27H36O5
MOLECULAR WEIGHT (Da)	440.5800
ACCURATE MASS (Da)	440.2563
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nostoc
ORIGIN SPECIES	commune EAWAG 122b
InChIKey	MJJYRBWVKARFOM-FORJUWHVSA-N
InChI	InChI=1S/C27H36O5/c1-14-10-17(28)22-23-19(12-20-25(2,3)21(29)8-9-26(20,22)4)32-18-7-6-15(24(30)31)11-16(18)13-27(14,23)5/h6-7,11,14,17,19-21,28-29H,8-10,12-13H2,1-5H3,(H,30,31)/t14-,17+,19-,20-,21-,26-,27-/m1/s1
SMILES	C[C@@H]1C[C@@H](C2=C3[C@@]1(CC4=C(C=CC(=C4)C(=O)O)O[C@@H]3C[C@H]5[C@]2(CC[C@H](C5(C)C)O)C)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Jaki; Heilmann; Sticher New antibacterial metabolites from the cyanobacterium Nostoc commune (EAWAG 122b) Journal of Natural Products 2000 63 (9) 1283-1285.
DOI	10.1021/np000033s	PMID	11000038

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Nostocaceae	LPSN	1162
Genus	Nostoc	LPSN	1177

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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