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Compounds

COMPOUND NPA002353

STRUCTURE

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PROPERTIES

NPAID	NPA002353
CLUSTER ID	26
NODE ID	25
NAME	Brevicompanine H
FORMULA	C24H31N3O3
MOLECULAR WEIGHT (Da)	409.5300
ACCURATE MASS (Da)	409.2365
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp.
InChIKey	BBDIFTVRYQWOJP-UNBWHIKDSA-N
InChI	InChI=1S/C24H31N3O3/c1-7-18(28)26-16-12-10-9-11-15(16)24(23(5,6)8-2)13-17-20(29)25-19(14(3)4)21(30)27(17)22(24)26/h8-12,14,17,19,22H,2,7,13H2,1,3-6H3,(H,25,29)/t17-,19-,22-,24+/m0/s1
SMILES	CCC(=O)N1[C@@H]2[C@@](C[C@@H]3N2C(=O)[C@@H](NC3=O)C(C)C)(C4=CC=CC=C41)C(C)(C)C=C

ORIGINAL ISOLATION REFERENCE

CITATION	Du, Lin; Yang, Xinying; Zhu, Tianjiao; Wang, Fengping; Xiao, Xiang; Park, Hyun; Gu, Qianqun Diketopiperazine alkaloids from a deep ocean sediment derived fungus Penicillium sp Chemical and Pharmaceutical Bulletin 2009 57 (8) 873-876.
DOI	10.1248/cpb.57.873	PMID	19652417

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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