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Compounds

COMPOUND NPA013604

STRUCTURE

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PROPERTIES

NPAID	NPA013604
CLUSTER ID	135
NODE ID	129
NAME	Penicillactone C
FORMULA	C28H36O12
MOLECULAR WEIGHT (Da)	564.5840
ACCURATE MASS (Da)	564.2207
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	dangeardii pitt
InChIKey	ULUMNLCJERAXQP-JWCHVQLNSA-N
InChI	InChI=1S/C28H36O12/c1-4-5-6-7-9-17-12-18(23(33)39-17)27(25(35)38-3)13-16(22(32)20(30)10-8-11-21(31)37-2)14-28(27)19(15-29)24(34)40-26(28)36/h8,11-12,15-17,20,22,29-30,32H,4-7,9-10,13-14H2,1-3H3/b11-8-,19-15+/t16-,17+,20+,22+,27+,28-/m1/s1
SMILES	CCCCCC[C@H]1C=C(C(=O)O1)[C@@]2(C[C@H](C[C@]23/C(=C/O)/C(=O)OC3=O)[C@@H]([C@H](C/C=C\C(=O)OC)O)O)C(=O)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Liu, Yunbao; Ding, Guangzhi; Li, Yong; Qu, Jing; Ma, Shuanggang; Lv, Haining; Liu, Yang; Wang, Wenjie; Dai, Jungui; Tang, Yi; Yu, Shishan Structures and absolute configurations of penicillactones A-C from an endophytic microorganism, Penicillium dangeardii pitt Organic Letters 2013 15 (20) 5206-5209.
DOI	10.1021/ol4023485	PMID	24093807

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	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

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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