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Compounds

COMPOUND NPA002512

STRUCTURE

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PROPERTIES

NPAID	NPA002512
CLUSTER ID	178
NODE ID	166
NAME	Not named
FORMULA	C43H77NO8
MOLECULAR WEIGHT (Da)	736.0880
ACCURATE MASS (Da)	735.5649
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Acetobacter
ORIGIN SPECIES	europaeus
InChIKey	SDAHDGKUKORJBT-ZIJIADJNSA-N
InChI	InChI=1S/C43H77NO8/c1-23(20-24(2)33(47)34(48)28(46)21-52-37-32(44)35(49)36(50)43(37,51)22-45)26-13-17-39(6)27(26)14-18-41(8)30(39)10-11-31-40(7)16-12-25(3)38(4,5)29(40)15-19-42(31,41)9/h23-37,45-51H,10-22,44H2,1-9H3/t23?,24?,25-,26+,27?,28-,29?,30?,31?,32+,33+,34-,35+,36-,37?,39-,40-,41+,42+,43-/m0/s1
SMILES	C[C@H]1CC[C@@]2(C3CCC4[C@]5(CC[C@@H](C5CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C(C)CC(C)[C@H]([C@H]([C@H](COC6[C@@H]([C@H]([C@@H]([C@]6(CO)O)O)O)N)O)O)O)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Simonin, Pascale; Tindall, Brian; Rohmer, Michel Structure elucidation and biosynthesis of 31-methylhopanoids from Acetobacter europaeus. Studies on a new series of bacterial triterpenoids European Journal of Biochemistry 1994 225 (2) 765-771.
DOI	10.1111/j.1432-1033.1994.00765.x	PMID	7957191

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhodospirillales	LPSN	204441
Family	Acetobacteraceae	LPSN	433
Genus	Acetobacter	LPSN	434

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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