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Compounds

COMPOUND NPA016157

STRUCTURE

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PROPERTIES

NPAID	NPA016157
CLUSTER ID	84
NODE ID	79
NAME	Boydine C
FORMULA	C31H38N2O8S2
MOLECULAR WEIGHT (Da)	630.7850
ACCURATE MASS (Da)	630.2070
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pseudallescheria
ORIGIN SPECIES	boydii
InChIKey	ZNNFEUYWUHMNHD-VYKKJUJXSA-N
InChI	InChI=1S/C31H38N2O8S2/c1-7-16(2)25(35)17(3)26(36)18(4)27(37)41-22-11-12-40-15-20-14-31(43-6)28(38)32-23-19(9-8-10-21(23)34)13-30(32,42-5)29(39)33(31)24(20)22/h7-12,15,17-18,21-24,26,34,36H,13-14H2,1-6H3/t17-,18-,21+,22+,23+,24+,26+,30-,31-/m1/s1
SMILES	CC=C(C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@@]4(CC5=CC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)O)SC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Wu, Qi; Jiang, Nan; Bo Han, Wen; Ning Mei, Ya; Ming Ge, Hui; Kai Guo, Zhi; Seik Weng, Ng; Xiang Tan, Ren Antibacterial epipolythiodioxopiperazine and unprecedented sesquiterpene from Pseudallescheria boydii, a beetle (coleoptera)-associated fungus Organic & Biomolecular Chemistry 2014 12 (46) 9405-9412.
DOI	10.1039/c4ob01494d	PMID	25319640

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Microascales	MycoBank	5592
Family	Microascaceae	MycoBank	5593
Genus	Pseudallescheria	MycoBank	5596

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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