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Compounds

COMPOUND NPA036668

STRUCTURE

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PROPERTIES

NPAID	NPA036668
CLUSTER ID	719
NODE ID	628
NAME	12-epi-Hapalindole F isothiocyanate
FORMULA	C21H23ClN2S
MOLECULAR WEIGHT (Da)	370.9490
ACCURATE MASS (Da)	370.1270
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	welwitschii
InChIKey	GRQUFNAGGOBDNI-CMWLGVBASA-N
InChI	InChI=1S/C21H23ClN2S/c1-5-21(4)18(22)10-15(13(2)3)19(20(21)24-12-25)16-11-23-17-9-7-6-8-14(16)17/h5-9,11,15,18-20,23H,1-2,10H2,3-4H3/t15-,18-,19+,20-,21-/m1/s1
SMILES	C=C[C@]1(C)[C@H](Cl)C[C@H](C(=C)C)[C@@H](C2=CNC3=CC=CC=C23)[C@H]1N=C=S

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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