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Compounds

COMPOUND NPA019701

STRUCTURE

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PROPERTIES

NPAID	NPA019701
CLUSTER ID	567
NODE ID	506
NAME	3-epi-welwitindolinone B isothiocyanate
FORMULA	C22H23ClN2O2S
MOLECULAR WEIGHT (Da)	414.9580
ACCURATE MASS (Da)	414.1169
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Hapalosiphon
ORIGIN SPECIES	welwitschii
InChIKey	RBPIZRWOMRMEOB-ADDAZVEVSA-N
InChI	InChI=1S/C22H23ClN2O2S/c1-6-21(4)15(23)10-13-18(26)22(21,24-11-28)12-8-7-9-14-16(12)17(20(13,2)3)19(27)25(14)5/h6-9,13,15,17H,1,10H2,2-5H3/t13-,15+,17-,21+,22+/m0/s1
SMILES	C[C@]1([C@@H](C[C@H]2C(=O)[C@@]1(C3=C4[C@H](C2(C)C)C(=O)N(C4=CC=C3)C)N=C=S)Cl)C=C

ORIGINAL ISOLATION REFERENCE

CITATION	Moore, Richard E.;Yang, Xu-Qiang G ; Patterson, Gregory M. L. Fontonamide and Anhydrohapaloxindole A, Two New Alkaloids from the Blue-Green Alga Hapalosiphon fontinalis Journal of the American Chemical Society 1987 52 (17) 3773-3777.
DOI	10.1021/jo00226a009	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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