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Compounds

COMPOUND NPA035301

STRUCTURE

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PROPERTIES

NPAID	NPA035301
CLUSTER ID	2037
NODE ID	1631
NAME	Emerxanthone B
FORMULA	C41H46O10
MOLECULAR WEIGHT (Da)	698.8090
ACCURATE MASS (Da)	698.3091
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Emericella
ORIGIN SPECIES	sp. XL029
InChIKey	QQMVTFUVWSNNNG-USPLZQGWSA-N
InChI	InChI=1S/C41H46O10/c1-7-8-9-10-11-12-13-14-24-18-26(42)20-29(44)32(24)40(47)51-31(41(5,6)48)19-25-15-16-28(43)33-37(46)34-30(50-39(25)33)17-23(4)38-35(34)36(45)27(21-49-38)22(2)3/h9-12,15-18,20,27,31,36,42-45,48H,2,7-8,13-14,19,21H2,1,3-6H3/b10-9-,12-11-/t27-,31+,36+/m0/s1
SMILES	C=C(C)[C@@H]1COC2=C(C3=C(C=C2C)OC2=C(C[C@@H](OC(=O)C4=C(CC/C=C\C=C/CCC)C=C(O)C=C4O)C(C)(C)O)C=CC(O)=C2C3=O)[C@@H]1O

ORIGINAL ISOLATION REFERENCE

CITATION	Xian, Peng-Jie; Liu, Shu-Zhi; Wang, Wen-Jing; Yang, Sheng-Xiang; Feng, Zhang; Yang, Xiao-Long Undescribed specialised metabolites from the endophytic fungus Emericella sp. XL029 and their antimicrobial activities. Phytochemistry 2022 202 113303.
DOI	10.1016/j.phytochem.2022.113303	PMID	35787351

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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