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Compounds

COMPOUND NPA023571

STRUCTURE

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PROPERTIES

NPAID	NPA023571
CLUSTER ID	479
NODE ID	430
NAME	Pestalic acid B
FORMULA	C18H26O5
MOLECULAR WEIGHT (Da)	322.4010
ACCURATE MASS (Da)	322.1780
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Pestalotiopsis
ORIGIN SPECIES	sp. FT172
InChIKey	DZTHODQMFYKLTC-CJONYWBXSA-N
InChI	InChI=1S/C18H26O5/c1-3-4-5-6-7-8-13-11-14(19)16-18(23-16,15(13)20)10-9-12(2)17(21)22/h7-9,11,14-16,19-20H,3-6,10H2,1-2H3,(H,21,22)/b8-7+,12-9+/t14-,15+,16-,18+/m0/s1
SMILES	CCCCC/C=C/C1=C[C@@H]([C@H]2[C@@]([C@@H]1O)(O2)C/C=C(\C)/C(=O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Li, Chun-Shun; Yang, Bao-Jun; Turkson, James; Cao, Shugeng Anti-proliferative ambuic acid derivatives from Hawaiian endophytic fungus Pestalotiopsis sp. FT172 Phytochemistry 2017 140 77-82.
DOI	10.1016/j.phytochem.2017.04.017	PMID	28463686

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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