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Compounds

COMPOUND NPA000286

STRUCTURE

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PROPERTIES

NPAID	NPA000286
CLUSTER ID	241
NODE ID	221
NAME	7,9-dihydroxy-3-(1H-indol-3-ylmethyl)-8-methoxy-2,3,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline-1,4-dione
FORMULA	C22H21N3O5
MOLECULAR WEIGHT (Da)	407.4260
ACCURATE MASS (Da)	407.1481
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Aspergillus
ORIGIN SPECIES	oryzae sp. MMAO1
InChIKey	FBGQHXBBNVDHIX-IAGOWNOFSA-N
InChI	InChI=1S/C22H21N3O5/c1-30-20-18(26)8-11-7-17-21(28)24-16(22(29)25(17)10-14(11)19(20)27)6-12-9-23-15-5-3-2-4-13(12)15/h2-5,8-9,16-17,23,26-27H,6-7,10H2,1H3,(H,24,28)/t16-,17-/m1/s1
SMILES	COC1=C(C=C2C[C@@H]3C(=O)N[C@@H](C(=O)N3CC2=C1O)CC4=CNC5=CC=CC=C54)O

ORIGINAL ISOLATION REFERENCE

CITATION	Shaaban, Mohamed; El-Metwally, Mohammad Magdy; Nasr, Hamdi A new diketopiperazine alkaloid from Aspergillus oryzae Natural Product Research 2014 28 (2) 86-94.
DOI	10.1080/14786419.2013.841687	PMID	24116376

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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