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Compounds

COMPOUND NPA011209

STRUCTURE

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PROPERTIES

NPAID	NPA011209
CLUSTER ID	526
NODE ID	471
NAME	Roritoxin A
FORMULA	C29H34O10
MOLECULAR WEIGHT (Da)	542.5810
ACCURATE MASS (Da)	542.2152
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	roridum ATCC 20605
InChIKey	BBRXIMOXXQYCCP-YXAAWUSWSA-N
InChI	InChI=1S/C29H34O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3-5,8,11-12,18-20,23-25,32-33H,6-7,9-10,13-15H2,1-2H3/b5-3-,8-4+,17-12+/t18-,19-,20-,23?,24-,25?,26-,27-,28-,29?/m1/s1
SMILES	CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C/4\CCO[C@]5([C@@H]4OC(C5O)O)/C=C/C=C\C(=O)O[C@H]6[C@]3(C7(CO7)[C@@H](C6)O2)C

ORIGINAL ISOLATION REFERENCE

CITATION	Jarvis, Bruce B.; Yatawara, C. S. Roritoxins, New Macrocyclic Trichothecenes from Myrothecium roridum Journal of Organic Chemistry 1986 51 (15) 2906-2910.
DOI	10.1021/jo00365a010	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	Hypocreales	MycoBank	5125
Family	Stachybotryaceae	MycoBank	1667166
Genus	Myrothecium	MycoBank	5531

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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