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Compounds

COMPOUND NPA010218

STRUCTURE

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PROPERTIES

NPAID	NPA010218
CLUSTER ID	2667
NODE ID	2070
NAME	Bulgarialactone B
FORMULA	C26H28O7
MOLECULAR WEIGHT (Da)	452.5030
ACCURATE MASS (Da)	452.1835
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Monascus
ORIGIN SPECIES	purpureus
InChIKey	HLAVRSKKJYOJBF-DMCYUOPFSA-N
InChI	InChI=1S/C26H28O7/c1-4-16(2)9-7-5-6-8-10-18(28)13-22(29)23-21-12-17-11-19(14-27)32-15-20(17)24(30)26(21,3)33-25(23)31/h5-10,12-13,15-16,19,27,29H,4,11,14H2,1-3H3/b6-5+,9-7+,10-8+,22-13-/t16?,19?,26-/m1/s1
SMILES	CCC(C)/C=C/C=C/C=C/C(=O)/C=C(/C1=C2C=C3CC(OC=C3C(=O)[C@@]2(OC1=O)C)CO)\O

ORIGINAL ISOLATION REFERENCE

CITATION	Musso, Loana; Dallavalle, Sabrina; Merlini, Lucio; Bava, Adriana; Nasini, Gianluca; Penco, Sergio; Giannini, Giuseppe; Giommarelli, Chiara; De Cesare, Andrea; Zuco, Valentina; Vesci, Loredana; Pisano, Claudio; Castorina, Massimo; Milazzo, Ferdinando; Cervoni, Maria Luisa; Dal Piaz, Fabrizio; De Tommasi, Nunziatina; Zunino, Franco Natural and semisynthetic azaphilones as a new scaffold for Hsp90 inhibitors Bioorganic and Medicinal Chemistry 2010 18 (16) 6031-6043.
DOI	10.1016/j.bmc.2010.06.068	PMID	20655237

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Family	Monascaceae	MycoBank	-
Genus	Monascus	MycoBank	5097

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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