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Compounds

COMPOUND NPA012196

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA012196
CLUSTER ID	526
NODE ID	471
NAME	Roridin E acetate
FORMULA	C31H40O9
MOLECULAR WEIGHT (Da)	556.6520
ACCURATE MASS (Da)	556.2672
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	verrucaria BCC 112
InChIKey	UMMRHXXIVGSHOW-JOAVBITDSA-N
InChI	InChI=1S/C31H40O9/c1-19-10-12-30-17-36-28(34)15-20(2)11-13-35-23(21(3)38-22(4)32)8-6-7-9-27(33)40-24-16-26(39-25(30)14-19)31(18-37-31)29(24,30)5/h6-9,14-15,21,23-26H,10-13,16-18H2,1-5H3/b8-6+,9-7-,20-15+/t21-,23-,24-,25-,26-,29-,30-,31+/m1/s1
SMILES	CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C(/CCO[C@H](/C=C/C=C\C(=O)O[C@H]4[C@]3([C@]5(CO5)[C@@H](C4)O2)C)[C@@H](C)OC(=O)C)\C

ORIGINAL ISOLATION REFERENCE

CITATION	Isaka, Masahiko; Punya, Juntira; Lertwerawat, Yuwapin; Tanticharoen, Morakot; Thebtaranonth, Yodhathai Antimalarial activity of macrocyclic trichothecenes isolated from the fungus Myrothecium verrucaria Journal of Natural Products 1999 62 (2) 329-331.
DOI	10.1021/np980323x	PMID	10075777

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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