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Compounds

COMPOUND NPA016751

STRUCTURE

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PROPERTIES

NPAID	NPA016751
CLUSTER ID	5696
NODE ID	163
NAME	3β,11α-diacetoxy-13β-hydroxyolean-12-one
FORMULA	C34H54O6
MOLECULAR WEIGHT (Da)	558.8000
ACCURATE MASS (Da)	558.3920
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Gordonia
ORIGIN SPECIES	ceylanica
InChIKey	DSICOADBIKAGSE-DPJQMALGSA-N
InChI	InChI=1S/C34H54O6/c1-20(35)39-24-12-13-31(8)22(29(24,5)6)11-14-32(9)26(31)25(40-21(2)36)27(37)34(38)23-19-28(3,4)15-16-30(23,7)17-18-33(32,34)10/h22-26,38H,11-19H2,1-10H3/t22-,23+,24-,25-,26+,30+,31-,32+,33-,34+/m0/s1
SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2[C@@H](C(=O)[C@]4([C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)O)OC(=O)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Herat, H M; Athukoralage, P S; Jamie, J F Two oleanane triterpenoids from gordonia ceylanica and their conversions to taraxarane triterpenoids Phytochemistry 2000 54 (8) 823-827.
DOI	10.1016/s0031-9422(00)00037-6	PMID	11014273

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Corynebacteriales	LPSN	85007
Family	Gordoniaceae	LPSN	85026
Genus	Gordonia	LPSN	2053

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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