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Compounds

COMPOUND NPA005022

STRUCTURE

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PROPERTIES

NPAID	NPA005022
CLUSTER ID	313
NODE ID	284
NAME	17-Methoxycochlioquinone A
FORMULA	C31H46O9
MOLECULAR WEIGHT (Da)	562.7000
ACCURATE MASS (Da)	562.3142
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Bipolaris
ORIGIN SPECIES	brizae
InChIKey	ZJQALHWZSULQNP-IELNQHAWSA-N
InChI	InChI=1S/C31H46O9/c1-10-15(2)25(38-17(4)32)16(3)20-22(33)27-21(23(34)26(20)37-9)24(35)28-30(7)13-11-18(29(5,6)36)39-19(30)12-14-31(28,8)40-27/h15-16,18-19,24-25,28,35-36H,10-14H2,1-9H3/t15-,16-,18+,19+,24+,25+,28+,30-,31+/m0/s1
SMILES	CC[C@H](C)[C@H]([C@@H](C)C1=C(C(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(C)(C)O)C)C)OC)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	YOGANATHAN, K.; YANG, LAY-KIEN; ROSSANT, CHRISTINE; HUANG, YICUN; NG, SIEWBEE; BUTLER, MARK S.; BUSS, ANTONY D. Cochlioquinones and Epi-Cochlioquinones: Antagonists of the Human Chemokine Receptor CCR5 from Bipolaris brizae and Stachybotrys chartarum Journal of Antibiotics 2004 57 (1) 59-63.
DOI	10.7164/antibiotics.57.59	PMID	15032487

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Dothideomycetes	MycoBank	147541
Order	Pleosporales	MycoBank	92860
Family	Pleosporaceae	MycoBank	28556
Genus	Bipolaris	MycoBank	33194

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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