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Compounds

COMPOUND NPA006369

STRUCTURE

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PROPERTIES

NPAID	NPA006369
CLUSTER ID	2974
NODE ID	2278
NAME	Secoemestrin D
FORMULA	C27H24N2O8S4
MOLECULAR WEIGHT (Da)	632.7630
ACCURATE MASS (Da)	632.0415
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Emericella
ORIGIN SPECIES	sp. AST0036
InChIKey	ONXASDRNDFVLMR-DOQQYFFYSA-N
InChI	InChI=1S/C27H24N2O8S4/c1-28-24(33)27-13-17-14-36-10-9-21(37-23(32)16-5-8-20(35-2)19(31)11-16)22(17)29(27)25(34)26(28,38-40-41-39-27)12-15-3-6-18(30)7-4-15/h3-11,14,21-22,30-31H,12-13H2,1-2H3/t21-,22-,26+,27+/m0/s1
SMILES	CN1C(=O)[C@]23CC4=COC=C[C@@H]([C@H]4N2C(=O)[C@]1(SSSS3)CC5=CC=C(C=C5)O)OC(=O)C6=CC(=C(C=C6)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Ya-ming; Espinosa-Artiles, Patricia; Liu, Mangping X.; Arnold, A. Elizabeth; Gunatilaka, A. A. Leslie Secoemestrin D, a Cytotoxic Epitetrathiodioxopiperizine, and Emericellenes A-E, Five Sesterterpenoids from Emericella sp. AST0036, a Fungal Endophyte of Astragalus lentiginosus1 Journal of Natural Products 2013 76 (12) 2330-2336.
DOI	10.1021/np400762k	PMID	24251417

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Trichocomaceae	MycoBank	28568
Genus	Emericella	MycoBank	5071

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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