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Compounds

COMPOUND NPA017982

STRUCTURE

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PROPERTIES

NPAID	NPA017982
CLUSTER ID	526
NODE ID	471
NAME	8-Acetoxyroridin E
FORMULA	C31H40O10
MOLECULAR WEIGHT (Da)	572.6510
ACCURATE MASS (Da)	572.2621
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	sp.
InChIKey	BMAGQNXTRVVGHR-ZZBGYAMSSA-N
InChI	InChI=1S/C31H40O10/c1-18-10-11-36-22(20(3)32)8-6-7-9-27(34)41-24-14-26-31(17-38-31)29(24,5)30(16-37-28(35)12-18)15-23(39-21(4)33)19(2)13-25(30)40-26/h6-9,12-13,20,22-26,32H,10-11,14-17H2,1-5H3/b8-6?,9-7-,18-12-/t20-,22-,23+,24-,25-,26-,29-,30-,31?/m1/s1
SMILES	C/C/1=C/C(=O)OC[C@]23C[C@@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3(C45CO5)C)OC(=O)/C=C\C=C[C@@H](OCC1)[C@@H](C)O)C)OC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	WAGENAAR, MELISSA M.; CLARDY, JON Two New Roridins Isolated from Myrothecium sp Journal of Antibiotics 2001 54 (6) 517-520.
DOI	10.7164/antibiotics.54.517	PMID	11513043

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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