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Compounds

COMPOUND NPA010475

STRUCTURE

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PROPERTIES

NPAID	NPA010475
CLUSTER ID	873
NODE ID	755
NAME	Chlorotrithiobrevamide
FORMULA	C20H21ClN2O8S3
MOLECULAR WEIGHT (Da)	549.0480
ACCURATE MASS (Da)	548.0149
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Trichoderma
ORIGIN SPECIES	sp. TPU199
InChIKey	TXXAZKKOCSTFPI-GHYZKQQQSA-N
InChI	InChI=1S/C20H21ClN2O8S3/c1-29-10-5-3-8(13(25)14(10)30-2)15-12-17(26)23-20(18(27)22-12,33-34-32-15)7-19(28)11(21)6-4-9(24)16(19)31-23/h3-6,9,11-12,15-16,24-25,28H,7H2,1-2H3,(H,22,27)/t9-,11-,12-,15?,16+,19+,20-/m1/s1
SMILES	COC1=C(C(=C(C=C1)C2[C@@H]3C(=O)N4[C@@](C[C@@]5([C@@H](C=C[C@H]([C@@H]5O4)O)Cl)O)(C(=O)N3)SSS2)O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Yamazaki, Hiroyuki; Takahashi, Ohgi; Murakami, Kazuki; Namikoshi, Michio Induced production of a new unprecedented epitrithiodiketopiperazine, chlorotrithiobrevamide, by a culture of the marine-derived Trichoderma cf. brevicompactum with dimethyl sulfoxide Tetrahedron Letters 2015 56 (45) 6262-6265.
DOI	10.1016/j.tetlet.2015.09.113	PMID	-

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	Hypocreaceae	MycoBank	5129
Genus	Trichoderma	MycoBank	5543

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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