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Compounds

COMPOUND NPA011507

STRUCTURE

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PROPERTIES

NPAID	NPA011507
CLUSTER ID	377
NODE ID	163
NAME	2β,20α‐dimethyltetrahymanol
FORMULA	C32H56O
MOLECULAR WEIGHT (Da)	456.7990
ACCURATE MASS (Da)	456.4331
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Bradyrhizobium
ORIGIN SPECIES	japonicum USDA 110
InChIKey	IRRPBKNYCQPNRU-SDPCAQMASA-N
InChI	InChI=1S/C32H56O/c1-20-17-27(3,4)22-13-15-31(9)24(29(22,7)18-20)11-12-25-30(8)19-21(2)26(33)28(5,6)23(30)14-16-32(25,31)10/h20-26,33H,11-19H2,1-10H3/t20-,21+,22+,23+,24-,25-,26+,29+,30+,31-,32-/m1/s1
SMILES	C[C@H]1C[C@@]2([C@H]3CC[C@H]4[C@]([C@@]3(CC[C@H]2C(C1)(C)C)C)(CC[C@@H]5[C@@]4(C[C@@H]([C@@H](C5(C)C)O)C)C)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Bravo, Jean-Michel; Perzl, Michael; Härtner, Thomas; Kannenberg, Elmar L.; Rohmer, Michel Novel methylated triterpenoids of the gammacerane series from the nitrogen-fixing bacterium Bradyrhizobium japonicum USDA 110 European Journal of Biochemistry 2001 268 (5) 1323-1331.
DOI	10.1046/j.1432-1327.2001.01998.x	PMID	11231284

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhizobiales	LPSN	-
Family	Bradyrhizobiaceae	LPSN	41294
Genus	Bradyrhizobium	LPSN	374

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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