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Compounds

COMPOUND NPA019908

STRUCTURE

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PROPERTIES

NPAID	NPA019908
CLUSTER ID	3498
NODE ID	2636
NAME	Penicilleremophilane A
FORMULA	C23H25ClO5
MOLECULAR WEIGHT (Da)	416.9010
ACCURATE MASS (Da)	416.1391
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	copticola PSU-RSPG138
InChIKey	BZEFQUTWHGLKRU-GAGXKEPLSA-N
InChI	InChI=1S/C23H25ClO5/c1-12(2)23-19(26)11-15-6-8-18(13(3)22(15,4)21(23)29-23)28-20(27)10-14-5-7-17(25)16(24)9-14/h5,7,9,11,13,18,21,25H,1,6,8,10H2,2-4H3/t13-,18+,21+,22+,23-/m0/s1
SMILES	C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(=C)C)OC(=O)CC4=CC(=C(C=C4)O)Cl

ORIGINAL ISOLATION REFERENCE

CITATION	Daengrot, Charuwan; Rukachaisirikul, Vatcharin; Tansakul, Chittreeya; Thongpanchang, Tienthong; Phongpaichit, Souwalak; Bowornwiriyapan, Kawitsara; Sakayaroj, Jariya Eremophilane sesquiterpenes and diphenyl thioethers from the soil fungus Penicillium copticola PSU-RSPG138 Journal of Natural Products 2015 78 (4) 615-622.
DOI	10.1021/np5005328	PMID	25734623

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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