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Compounds

COMPOUND NPA019133

STRUCTURE

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PROPERTIES

NPAID	NPA019133
CLUSTER ID	66
NODE ID	62
NAME	Noduliprevenone
FORMULA	C33H34O15
MOLECULAR WEIGHT (Da)	670.6200
ACCURATE MASS (Da)	670.1898
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Nodulisporium
ORIGIN SPECIES	sp.
InChIKey	KEMIXLHAMVUKQQ-ZVAPWKIXSA-N
InChI	InChI=1S/C33H34O15/c1-14-10-16(34)26-17(35)13-33(31(42)45-5,21-7-9-23(39)46-21)48-29(26)25(14)24-15(2)11-19-27(28(24)40)18(36)12-32(47-19,30(41)44-4)20(37)6-8-22(38)43-3/h10-11,20-21,34,37,40H,6-9,12-13H2,1-5H3/t20-,21+,32+,33-/m1/s1
SMILES	CC1=CC(=C2C(=O)C[C@@](OC2=C1C3=C(C4=C(C=C3C)O[C@@](CC4=O)([C@@H](CCC(=O)OC)O)C(=O)OC)O)([C@@H]5CCC(=O)O5)C(=O)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Pontius, Alexander; Krick, Anja; Kehraus, Stefan; Foegen, Silke E; Müller, Michael; Klimo, Karin; Gerhäuser, Clarissa; König, Gabriele M Noduliprevenone: a novel heterodimeric chromanone with cancer chemopreventive potential Chemistry - A European Journal 2008 14 (32) 9860-9863.
DOI	10.1002/chem.200801574	PMID	18830975

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Xylariales	MycoBank	37989
Family	Xylariaceae	MycoBank	37990
Genus	Nodulisporium	MycoBank	96453

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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