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Compounds

COMPOUND NPA002632

STRUCTURE

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PROPERTIES

NPAID	NPA002632
CLUSTER ID	1549
NODE ID	1271
NAME	Betaenone C
FORMULA	C21H34O5
MOLECULAR WEIGHT (Da)	366.4980
ACCURATE MASS (Da)	366.2406
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Theissenia
ORIGIN SPECIES	cinerea
InChIKey	YRYPVWAJOMXOHH-ITBWMFDCSA-N
InChI	InChI=1S/C21H34O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1
SMILES	CC[C@@H](C)[C@@H]1[C@]([C@H]2[C@@H](C[C@@](C[C@@H]2C(=O)[C@@]1(C)O)(C)O)C)(C)C(=O)/C=C\O

ORIGINAL ISOLATION REFERENCE

CITATION	Ichihara, Akitami; Oikawa, Hideaki; Hashimoto, Masaaki; Sakamura, Sadao; Haraguchi, Tokuko; Nagano, Hiroshi A phytotoxin, betaenone C, and its related metabolites of Phoma betae Fr Agricultural and Biological Chemistry 1983 47 (12) 2965-2967.
DOI	10.1271/bbb1961.47.2965	PMID	-

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
Genus	Theissenia	MycoBank	419773

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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