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Compounds

COMPOUND NPA018766

STRUCTURE

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PROPERTIES

NPAID	NPA018766
CLUSTER ID	526
NODE ID	471
NAME	Roridin Q
FORMULA	C35H46O11
MOLECULAR WEIGHT (Da)	642.7420
ACCURATE MASS (Da)	642.3040
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Myrothecium
ORIGIN SPECIES	roridum TUF 98F42
InChIKey	XFQPQDBGNSBFNG-HQKIBZLKSA-N
InChI	InChI=1S/C35H46O11/c1-22-9-12-34-20-43-32(40)17-25(19-36)11-14-42-26(24(3)41-13-10-23(2)16-30(37)38)7-5-6-8-31(39)46-27-18-29(45-28(34)15-22)35(21-44-35)33(27,34)4/h5-8,15-17,24,26-29,36H,9-14,18-21H2,1-4H3,(H,37,38)/b7-5?,8-6+,23-16+,25-17-/t24-,26-,27-,28-,29-,33-,34-,35+/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)OCC/C(=C/C(=O)O)/C)\CO

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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