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Compounds

COMPOUND NPA025251

STRUCTURE

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PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA025251
CLUSTER ID	17
NODE ID	17
NAME	Paspalinine-13-ene
FORMULA	C27H29NO3
MOLECULAR WEIGHT (Da)	415.5330
ACCURATE MASS (Da)	415.2147
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp. ZO-R1-1
InChIKey	JLENOOOPKJFMMJ-MQEXBILOSA-N
InChI	InChI=1S/C27H29NO3/c1-24(2)23-21(29)14-19-18-10-9-15-13-17-16-7-5-6-8-20(16)28-22(17)26(15,4)25(18,3)11-12-27(19,30-23)31-24/h5-8,10,14-15,23,28H,9,11-13H2,1-4H3/t15-,23-,25-,26+,27-/m0/s1
SMILES	C[C@]12CC[C@]34C(=CC(=O)[C@H](O3)C(O4)(C)C)C1=CC[C@@H]5[C@@]2(C6=C(C5)C7=CC=CC=C7N6)C

ORIGINAL ISOLATION REFERENCE

CITATION	Ariantari NP; Ancheeva E; Wang C; Mándi A; Knedel TO; Kurtán T; Chaidir C; Müller WEG; Kassack MU; Janiak C; Daletos G; Proksch P Indole Diterpenoids from an Endophytic Penicillium sp. Journal of Natural Products 2019 82 (6) 1412-1423.
DOI	10.1021/acs.jnatprod.8b00723	PMID	31117519

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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