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Compounds

COMPOUND NPA007366

STRUCTURE

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PROPERTIES

NPAID	NPA007366
CLUSTER ID	3297
NODE ID	163
NAME	Roseic acid
FORMULA	C30H42O5
MOLECULAR WEIGHT (Da)	482.6610
ACCURATE MASS (Da)	482.3032
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Russula
ORIGIN SPECIES	aurora
InChIKey	BYCQKBKQTQNKMP-UXDLQAIQSA-N
InChI	InChI=1S/C30H42O5/c1-18(8-7-9-19(2)27(33)34)21-12-13-30(6)24-16-23-26(20(3)17-35-23)22(10-11-25(31)32)28(24,4)14-15-29(21,30)5/h7-9,17-18,21-22,24H,10-16H2,1-6H3,(H,31,32)(H,33,34)/b8-7-,19-9-/t18-,21-,22-,24-,28+,29-,30+/m1/s1
SMILES	CC1=COC2=C1[C@H]([C@@]3(CC[C@@]4([C@H](CC[C@]4([C@@H]3C2)C)[C@H](C)/C=C\C=C(\C)/C(=O)O)C)C)CCC(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Clericuzio, Marco; Vidari, Giovanni; Cassino, Claudio; Legnani, Laura; Toma, Lucio Roseic Acid and Roseolactones A and B, Furan-Cucurbitane Triterpenes from Russula aurora and R. minutula (Basidiomycota) Journal of Organic Chemistry 2014 2014 (25) 5462-5468.
DOI	10.1002/ejoc.201402208	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Russulales	MycoBank	452342
Family	Russulaceae	MycoBank	5401
Genus	Russula	MycoBank	5402

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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