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Compounds

COMPOUND NPA016843

STRUCTURE

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PROPERTIES

NPAID	NPA016843
CLUSTER ID	4933
NODE ID	3543
NAME	Emericellolide B
FORMULA	C30H41NO9
MOLECULAR WEIGHT (Da)	559.6560
ACCURATE MASS (Da)	559.2781
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Emericella
ORIGIN SPECIES	nidulans HDN12-249
InChIKey	LDZGZEKGHAEAHM-LADGPHEKSA-N
InChI	InChI=1S/C30H41NO9/c1-18-8-7-9-19(2)14-15-39-27-23(37-5)16-20-21(26(27)33)17-31(28(20)34)22(11-13-25(32)38-6)29(35)40-24(12-10-18)30(3,4)36/h8,14,16,22,24,33,36H,7,9-13,15,17H2,1-6H3/t22-,24+/m0/s1
SMILES	CC1=CCCC(=CCOC2=C(C=C3C(=C2O)CN(C3=O)[C@H](C(=O)O[C@H](CC1)C(C)(C)O)CCC(=O)OC)OC)C

ORIGINAL ISOLATION REFERENCE

CITATION	Zhou, Haibo; Sun, Xinhua; Li, Na; Che, Qian; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Isoindolone-Containing Meroperpenoids from the Endophytic Fungus Emericella nidulans HDN12-249 Organic Letters 2016 18 (18) 4670-4673.
DOI	10.1021/acs.orglett.6b02297	PMID	27588428

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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