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Compounds

COMPOUND NPA016750

STRUCTURE

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PROPERTIES

NPAID	NPA016750
CLUSTER ID	1378
NODE ID	1160
NAME	(2R,3S,2′R,3′R)-2,3,2′,3′-tetrahydroxy-β,β-caroten-4-one
FORMULA	C40H54O5
MOLECULAR WEIGHT (Da)	614.8670
ACCURATE MASS (Da)	614.3971
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Rhizobium
ORIGIN SPECIES	lupini
InChIKey	XJWXMPXLYUAWJI-LKWSRBIKSA-N
InChI	InChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,36-,37+,38+/m1/s1
SMILES	CC1=C(C([C@H]([C@@H](C1)O)O)(C)C)/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

ORIGINAL ISOLATION REFERENCE

CITATION	Kleinig, Hans; Heumann, Wolfram; Meister, Walter; Englert, Gerhard Carotenoids of Rhizobia. I. New carotenoids from Rhizobium lupini Helvetica Chimica Acta 1977 60 (1) 254-258.
DOI	10.1002/hlca.19770600131	PMID	838596

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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