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Compounds

COMPOUND NPA018270

STRUCTURE

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PROPERTIES

NPAID	NPA018270
CLUSTER ID	526
NODE ID	471
NAME	Roridin R
FORMULA	C29H38O9
MOLECULAR WEIGHT (Da)	530.6140
ACCURATE MASS (Da)	530.2516
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	roridum
InChIKey	IDKGOOSUZDQUOK-CNKICRAXSA-N
InChI	InChI=1S/C29H38O9/c1-16-9-10-28-14-33-26(32)25(31)17(2)12-24-35-18(3)19(36-24)7-5-6-8-23(30)38-20-13-22(37-21(28)11-16)29(15-34-29)27(20,28)4/h5-8,11,17-22,24-25,31H,9-10,12-15H2,1-4H3/b7-5-,8-6-/t17-,18?,19?,20-,21-,22-,24?,25+,27-,28-,29+/m1/s1
SMILES	C[C@@H]1CC2OC(C(O2)/C=C\C=C/C(=O)O[C@@H]3C[C@@H]4[C@]5([C@]3([C@]6(CCC(=C[C@H]6O4)C)COC(=O)[C@H]1O)C)CO5)C

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Jinzhong; Takasaki, Azusa; Kobayashi, Hisayoshi; Oda, Taiko; Yamada, Junko; Mangindaan, Remy E. P.; Ukai, Kazuyo; Nagai, Hiroshi; Namikoshi, Michio Four new macrocyclic trichothecenes from two strains of marine-derived fungi of the genus Myrothecium Journal of Antibiotics 2006 59 (8) 451-455.
DOI	10.1038/ja.2006.63	PMID	17080680

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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