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Compounds

COMPOUND NPA010335

STRUCTURE

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PROPERTIES

NPAID	NPA010335
CLUSTER ID	526
NODE ID	471
NAME	12,13-Deoxyroridin E
FORMULA	C29H38O7
MOLECULAR WEIGHT (Da)	498.6160
ACCURATE MASS (Da)	498.2618
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	roridum
InChIKey	QRZOAFBSHUOELI-YLAZPCKSSA-N
InChI	InChI=1S/C29H38O7/c1-18-10-12-29-17-34-27(32)15-19(2)11-13-33-22(21(4)30)8-6-7-9-26(31)36-24-16-23(35-25(29)14-18)20(3)28(24,29)5/h6-9,14-15,21-25,30H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7-,19-15+/t21-,22-,23-,24-,25-,28-,29-/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(=C)[C@@H](C4)O2)C)[C@@H](C)O)\C

ORIGINAL ISOLATION REFERENCE

CITATION	Namikoshi; Akano; Meguro; Kasuga; Mine; Takahashi; Kobayashi A new macrocyclic trichothecene, 12,13-deoxyroridin E, produced by the marine-derived fungus myrothecium roridum collected in palau Journal of Natural Products 2001 64 (3) 396-398.
DOI	10.1021/np000443g	PMID	11277768

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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