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Compounds

COMPOUND NPA007936

STRUCTURE

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PROPERTIES

NPAID	NPA007936
CLUSTER ID	2817
NODE ID	1000
NAME	3-chloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]-chromene-5,10-dione
FORMULA	C26H30Cl2O5
MOLECULAR WEIGHT (Da)	493.4270
ACCURATE MASS (Da)	492.1470
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	FSXIFSYEMGCEFU-ZBTFPREESA-N
InChI	InChI=1S/C26H30Cl2O5/c1-12-7-8-18(27)24(3,4)16(12)11-26-15(10-19(28)25(5,6)33-26)22(31)20-14(23(26)32)9-17(29)13(2)21(20)30/h9-10,16,18-19,29-30H,1,7-8,11H2,2-6H3/t16-,18+,19-,26-/m1/s1
SMILES	CC1=C(C=C2C(=C1O)C(=O)C3=C[C@H](C(O[C@]3(C2=O)C[C@@H]4C(=C)CC[C@@H](C4(C)C)Cl)(C)C)Cl)O

ORIGINAL ISOLATION REFERENCE

CITATION	Soria-Mercado, Irma E.; Prieto-Davo, Alejandra; Jensen, Paul R.; Fenical, William Antibiotic terpenoid chloro-dihydroquinones from a new marine actinomycete Journal of Natural Products 2005 68 (6) 904-910.
DOI	10.1021/np058011z	PMID	15974616

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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