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Compounds

COMPOUND NPA006310

STRUCTURE

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PROPERTIES

NPAID	NPA006310
CLUSTER ID	2951
NODE ID	2265
NAME	Penicillithiophenol B
FORMULA	C18H18O6S
MOLECULAR WEIGHT (Da)	362.4030
ACCURATE MASS (Da)	362.0824
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	copticola PSU-RSPG138
InChIKey	PYWMCFOLHWOMMF-UHFFFAOYSA-N
InChI	InChI=1S/C18H18O6S/c1-23-17(21)9-11-3-5-13(19)15(7-11)25-16-8-12(4-6-14(16)20)10-18(22)24-2/h3-8,19-20H,9-10H2,1-2H3
SMILES	COC(=O)CC1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)CC(=O)OC)O

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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