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Compounds

COMPOUND NPA029687

STRUCTURE

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PROPERTIES

NPAID	NPA029687
CLUSTER ID	1938
NODE ID	1557
NAME	Pestalotioquinoside B
FORMULA	C27H34O8
MOLECULAR WEIGHT (Da)	486.5610
ACCURATE MASS (Da)	486.2254
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	neglecta
InChIKey	TUIHVKXTFHEDJH-JLOQYJDQSA-N
InChI	InChI=1S/C27H34O8/c1-16(9-6-10-18(3)26(32)33)7-5-8-17(2)11-12-20-15-21(13-14-22(20)28)35-27-25(31)24(30)23(29)19(4)34-27/h7,10,13-15,19,23-25,27-31H,2,5-6,8-9H2,1,3-4H3,(H,32,33)/b16-7+,18-10+/t19-,23-,24+,25+,27-/m0/s1
SMILES	C=C(C#CC1=C(O)C=CC(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)=C1)CC/C=C(\C)CC/C=C(\C)C(=O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Fang, Wei; Li, Kunlong; Liang, Zhi; Liu, Yonghong; Tang, Lan; Wang, Jianjiao; Yang, Bin; Zhou, Xuefeng Ene-yne Hydroquinones from a Marine-derived Strain of the Fungus Pestalotiopsis neglecta with Effects on Liver X Receptor Alpha Journal of Natural Products 2020 83 (4) 1258-1264.
DOI	10.1021/acs.jnatprod.0c00050	PMID	32283019

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Amphisphaeriales	MycoBank	-
Family	Sporocadaceae	MycoBank	1812776
Genus	Pestalotiopsis	MycoBank	37840

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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