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Compounds

COMPOUND NPA015164

STRUCTURE

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PROPERTIES

NPAID	NPA015164
CLUSTER ID	106
NODE ID	101
NAME	(8S,8a-R)-7-Deacetyl-5-dechloro-1,O8,8,8a-tetrahydro-7-epi-sclerotiorin
FORMULA	C19H26O4
MOLECULAR WEIGHT (Da)	318.4130
ACCURATE MASS (Da)	318.1831
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sclerotiorum X11853
InChIKey	CDNUINONZTWWCE-ODWUICSLSA-N
InChI	InChI=1S/C19H26O4/c1-5-12(2)8-13(3)6-7-15-9-14-10-17(20)19(4,22)18(21)16(14)11-23-15/h6-10,12,16,18,21-22H,5,11H2,1-4H3/b7-6+,13-8+/t12-,16+,18-,19+/m0/s1
SMILES	CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC(=O)[C@@]([C@H]([C@@H]2CO1)O)(C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Pairet; Wrigley; Chetland; Reynolds; Hayes; Holloway; Ainsworth; Katzer; Cheng; Hupe; Charlton; Doherty Azaphilones with endothelin receptor binding activity produced by Penicillium sclerotiorum: Taxonomy, fermentation, isolation, structure elucidation and biological activity Journal of Antibiotics 1995 48 (9) 913-923.
DOI	10.7164/antibiotics.48.913	PMID	7592055

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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