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Compounds

COMPOUND NPA016945

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA016945
CLUSTER ID	5743
NODE ID	11
NAME	Clavorubin
FORMULA	C16H10O8
MOLECULAR WEIGHT (Da)	330.2480
ACCURATE MASS (Da)	330.0376
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Claviceps
ORIGIN SPECIES	purpurea
InChIKey	REDGYIBZSZFWKD-UHFFFAOYSA-N
InChI	InChI=1S/C16H10O8/c1-4-2-5-9(14(21)8(4)16(23)24)15(22)10-6(17)3-7(18)13(20)11(10)12(5)19/h2-3,17-18,20-21H,1H3,(H,23,24)
SMILES	CC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3O)O)O)O)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	B. Franck, T. Reschke Clavoxanthin and clavorubin, two new ergot dyes Angewandte Chemie 1959 71 (12) 407-407.
DOI	10.1002/ange.19590711207	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Clavicipitaceae	MycoBank	34397
Genus	Claviceps	MycoBank	5110

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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