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Compounds

COMPOUND NPA004901

STRUCTURE

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PROPERTIES

NPAID	NPA004901
CLUSTER ID	2482
NODE ID	1954
NAME	12-epi-Fischerindole I isonitrile
FORMULA	C21H21ClN2
MOLECULAR WEIGHT (Da)	336.8660
ACCURATE MASS (Da)	336.1393
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	welwitschii
InChIKey	ZVBCZYGMKQOJFW-QDUSTFBWSA-N
InChI	InChI=1S/C21H21ClN2/c1-6-21(4)15(22)11-13-17(19(21)23-5)16-12-9-7-8-10-14(12)24-18(16)20(13,2)3/h6-10,13,15,24H,1,11H2,2-4H3/t13-,15+,21+/m0/s1
SMILES	C[C@]1([C@@H](C[C@H]2C(=C1[N+]#[C-])C3=C(C2(C)C)NC4=CC=CC=C43)Cl)C=C

ORIGINAL ISOLATION REFERENCE

CITATION	Stratmann, Klemens; Moore, Richard E.; Bonjouklian, Rosanne; Deeter, Jack B.; Patterson, Gregory M. L.; Shaffer, Stacey; Smith, Charles D.; Smitka, Tim A. Welwitindolinones, Unusual Alkaloids from the Blue-Green Algae Hapalosiphon welwitschii and Westiella intricata. Relationship to Fischerindoles and Hapalinodoles Journal of the American Chemical Society 1994 116 (22) 9935-9942.
DOI	10.1021/ja00101a015	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Hapalosiphonaceae	LPSN	1892263
Genus	Hapalosiphon	LPSN	162985

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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