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Compounds

COMPOUND NPA024550

STRUCTURE

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PROPERTIES

NPAID	NPA024550
CLUSTER ID	46
NODE ID	11
NAME	Roccellatol
FORMULA	C12H16O7
MOLECULAR WEIGHT (Da)	272.2530
ACCURATE MASS (Da)	272.0896
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Roccella
ORIGIN SPECIES	montagnei
InChIKey	OXQDOVRVEZWKRU-UWVGGRQHSA-N
InChI	InChI=1S/C12H16O7/c1-6-2-7(14)11(8(15)3-6)12(18)19-5-10(17)9(16)4-13/h2-3,9-10,13-17H,4-5H2,1H3/t9-,10-/m0/s1
SMILES	CC1=CC(=C(C(=C1)O)C(=O)OC[C@@H]([C@H](CO)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Mallavadhani, Uppuluri V.; Sudhakar, Akella V. S. Roccellatol, a new β-orcinol based metabolite from the lichen Roccella montagnei Natural Product Research 2018 32 (3) 268-274.
DOI	10.1080/14786419.2017.1353508	PMID	28726494

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Arthoniomycetes	MycoBank	147539
Order	Arthoniales	MycoBank	39677
Family	Roccellaceae	MycoBank	40111
Genus	Roccella	MycoBank	72316

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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