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Compounds

COMPOUND NPA007216

STRUCTURE

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PROPERTIES

NPAID	NPA007216
CLUSTER ID	1378
NODE ID	1160
NAME	(2R,3S′,2′ R,3′S)-2,3,2′,3′-tetrahydroxy-β,β-carotene-4,4′-dione
FORMULA	C40H52O6
MOLECULAR WEIGHT (Da)	628.8500
ACCURATE MASS (Da)	628.3764
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Rhizobium
ORIGIN SPECIES	lupini
InChIKey	YKKUKLUVLWQEBJ-RWLMSABTSA-N
InChI	InChI=1S/C40H52O6/c1-25(17-13-19-27(3)21-23-31-29(5)33(41)35(43)37(45)39(31,7)8)15-11-12-16-26(2)18-14-20-28(4)22-24-32-30(6)34(42)36(44)38(46)40(32,9)10/h11-24,35-38,43-46H,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,25-15+,26-16+,27-19+,28-20+/t35-,36-,37+,38+/m1/s1
SMILES	CC1=C(C([C@H]([C@@H](C1=O)O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)[C@H]([C@@H](C2(C)C)O)O)C)\C)\C)/C)/C

ORIGINAL ISOLATION REFERENCE

CITATION	Peter Beyer, Hans Kleinig, Gerhard Englert, Walter Meister, Klaus Noack Carotenoids of Rhizobia. IV. Isolation and structure elucidation of the carotenoids of a mutant of Rhizobium lupini Helvetica Chimica Acta 1979 62 (8) 2551-2257.
DOI	10.1002/hlca.19790620807	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhizobiales	LPSN	-
Family	Rhizobiaceae	LPSN	82115
Genus	Rhizobium	LPSN	379

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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