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Compounds

COMPOUND NPA012476

STRUCTURE

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PROPERTIES

NPAID	NPA012476
CLUSTER ID	4682
NODE ID	3408
NAME	Sch 210971
FORMULA	C25H35NO6
MOLECULAR WEIGHT (Da)	445.5560
ACCURATE MASS (Da)	445.2464
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Chaetomium
ORIGIN SPECIES	globosum
InChIKey	AVZATKWNGXCSDN-UPZXKQCMSA-N
InChI	InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25+/m1/s1
SMILES	C/C=C(\C)/[C@@H]1C=C[C@@H]2C[C@@H](C[C@@H]([C@H]2[C@@H]1/C(=C/3\C(=O)[C@H](NC3=O)C[C@@](C)(C(=O)O)O)/O)C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Yang, Shu-Wei; Mierzwa, Ronald; Terracciano, Joseph; Patel, Mahesh; Gullo, Vincent; Wagner, Nicole; Baroudy, Bahige; Puar, Mohindar; Chan, Tze-Ming; McPhail, Andrew T.; Chu, Min Chemokine receptor CCR-5 inhibitors produced by Chaetomium globosum Journal of Natural Products 2006 69 (7) 1025-1028.
DOI	10.1021/np060121y	PMID	16872138

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Sordariales	MycoBank	5139
Family	Chaetomiaceae	MycoBank	35718
Genus	Chaetomium	MycoBank	5149

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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