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Compounds

COMPOUND NPA005512

STRUCTURE

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PROPERTIES

NPAID	NPA005512
CLUSTER ID	2697
NODE ID	1367
NAME	Tryptoquivaline S
FORMULA	C28H34N4O8
MOLECULAR WEIGHT (Da)	554.6000
ACCURATE MASS (Da)	554.2377
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Neosartorya
ORIGIN SPECIES	sp. HN-M-3
InChIKey	NFPCYJLSKHGINB-RXJHGUIHSA-N
InChI	InChI=1S/C28H34N4O8/c1-15(2)21(33)23(35)29-18-12-8-6-10-16(18)22(34)30-19(24(36)40-5)14-28(38)17-11-7-9-13-20(17)31-25(28)32(39)27(3,4)26(31)37/h6-13,15,19,21,25,33,38-39H,14H2,1-5H3,(H,29,35)(H,30,34)/t19?,21?,25-,28-/m0/s1
SMILES	CC(C)C(C(=O)NC1=CC=CC=C1C(=O)NC(C[C@]2([C@H]3N(C4=CC=CC=C42)C(=O)C(N3O)(C)C)O)C(=O)OC)O

ORIGINAL ISOLATION REFERENCE

CITATION	Xu, Nan; Cao, Yue; Wang, Li; Chen, Gang; Pei, Yue-Hu New alkaloids from a marine-derived fungus Neosartorya sp.HN-M-3 Journal of Asian Natural Products Research 2013 15 (7) 731-736.
DOI	10.1080/10286020.2013.797895	PMID	23768000

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	Trichocomaceae	MycoBank	28568
Genus	Neosartorya	MycoBank	36629

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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