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Compounds

COMPOUND NPA001826

STRUCTURE

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PROPERTIES

NPAID	NPA001826
CLUSTER ID	1151
NODE ID	984
NAME	Epiaspinonediol
FORMULA	C9H14O3
MOLECULAR WEIGHT (Da)	170.2080
ACCURATE MASS (Da)	170.0943
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	sp. 16-02-1
InChIKey	KZEYOZKGIDUZLU-MRVPVSSYSA-N
InChI	InChI=1S/C9H14O3/c1-7(11)3-4-9(6-10)5-8(2)12/h3-5,8,10,12H,6H2,1-2H3/t8-/m1/s1
SMILES	C[C@H](C=C(CO)C=CC(=O)C)O

ORIGINAL ISOLATION REFERENCE

CITATION	Chen, Xiu-Wen; Li, Chang-Wei; Cui, Cheng-Bin; Hua, Wei; Zhu, Tian-Jiao; Gu, Qian-Qun Nine new and five known polyketides derived from a deep sea-sourced Aspergillus sp. 16-02-1 Marine Drugs 2014 12 (6) 3116-3137.
DOI	10.3390/md12063116	PMID	24871461

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	Aspergillus	MycoBank	5052

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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