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Compounds

COMPOUND NPA022502

STRUCTURE

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PROPERTIES

NPAID	NPA022502
CLUSTER ID	1680
NODE ID	1373
NAME	Libertalide A
FORMULA	C18H28O5
MOLECULAR WEIGHT (Da)	324.4170
ACCURATE MASS (Da)	324.1937
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Unknown-fungus
ORIGIN SPECIES	sp.
InChIKey	BGIMHGNGLYDQMW-TVNOUSRMSA-N
InChI	InChI=1S/C18H28O5/c1-12(19)23-10-7-15(20)18(4)14-6-8-16(2,21)11-13(14)5-9-17(18,3)22/h5,9,13-14,21-22H,6-8,10-11H2,1-4H3/t13-,14-,16+,17+,18-/m0/s1
SMILES	CC(=O)OCCC(=O)[C@@]1([C@H]2CC[C@@](C[C@@H]2C=C[C@@]1(C)O)(C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Sun, Yi-Zhe; Kurtán, Tibor; Mándi, Attila; Tang, Hua; Chou, Yalan; Soong, Keryea; Su, Li; Sun, Peng; Zhuang, Chun-Lin; Zhang, Wen Immunomodulatory Polyketides from a Phoma-like Fungus Isolated from a Soft Coral Journal of Natural Products 2017 80 (11) 2930-2940.
DOI	10.1021/acs.jnatprod.7b00463	PMID	29048894

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Genus	Unknown-fungus	MycoBank	-

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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