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Compounds

COMPOUND NPA020066

STRUCTURE

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PROPERTIES

NPAID	NPA020066
CLUSTER ID	2705
NODE ID	105
NAME	Mitorubrinol
FORMULA	C21H18O8
MOLECULAR WEIGHT (Da)	398.3670
ACCURATE MASS (Da)	398.1002
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	rubus
InChIKey	NXJNWGPNUAVXHT-YEFOHOTDSA-N
InChI	InChI=1S/C21H18O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-10,22-24H,5H2,1-2H3/b4-3+/t21-/m1/s1
SMILES	CC1=CC(=CC(=C1C(=O)O[C@@]2(C(=O)C=C3C=C(OC=C3C2=O)/C=C/CO)C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	BUECHI G; WHITE JD; WOGAN GN THE STRUCTURES OF MITORUBRIN AND MITORUBRINOL. Journal of the American Chemical Society 1965 87 (15) 3484-9.
DOI	10.1021/ja01093a036	PMID	14322541

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

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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