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Compounds

COMPOUND NPA017057

STRUCTURE

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PROPERTIES

NPAID	NPA017057
CLUSTER ID	327
NODE ID	266
NAME	6-epi-3-anhydroophiobolin B
FORMULA	C25H36O3
MOLECULAR WEIGHT (Da)	384.5600
ACCURATE MASS (Da)	384.2664
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Cochliobolus
ORIGIN SPECIES	heterostrophus
InChIKey	NELFJHALXVSFHU-LTYVNTHZSA-N
InChI	InChI=1S/C25H36O3/c1-16(2)7-6-8-18(4)25(28)12-11-24(5)14-20-17(3)13-21(27)23(20)19(15-26)9-10-22(24)25/h7,9,13,15,18,20,22-23,28H,6,8,10-12,14H2,1-5H3/b19-9-/t18-,20+,22+,23-,24+,25-/m0/s1
SMILES	CC1=CC(=O)[C@@H]/2[C@@H]1C[C@]3(CC[C@@]([C@@H]3C/C=C2/C=O)([C@@H](C)CCC=C(C)C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Shen, Xiaoyu; Krasnoff, Stuart B.; Lu, Shun-Wen; Dunbar, Chuck D.; O'Neal, James; Turgeon, B. Gillan; Yoder, Olen C.; Gibson, Donna M.; Hamann, Mark T. Characterization of 6-epi-3-anhydroophiobolin B from Cochliobolus heterostrophus Journal of Natural Products 1999 62 (6) 895-897.
DOI	10.1021/np980462e	PMID	10395513

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	Cochliobolus	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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