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Compounds

COMPOUND NPA015735

STRUCTURE
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PROPERTIES
NPAID NPA015735
CLUSTER ID 567
NODE ID 506
NAME Welwitindolinone B isothiocyanate
FORMULA C21H21ClN2O2S
MOLECULAR WEIGHT (Da) 400.9310
ACCURATE MASS (Da) 400.1012
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Hapalosiphon
ORIGIN SPECIES welwitschii
InChIKey VLJMTNLRJHJRGI-VCOCTOFQSA-N
InChI InChI=1S/C21H21ClN2O2S/c1-5-20(4)14(22)9-12-17(25)21(20,23-10-27)11-7-6-8-13-15(11)16(18(26)24-13)19(12,2)3/h5-8,12,14,16H,1,9H2,2-4H3,(H,24,26)/t12-,14+,16+,20+,21+/m0/s1
SMILES C[C@]1([C@@H](C[C@H]2C(=O)[C@@]1(C3=C4[C@@H](C2(C)C)C(=O)NC4=CC=C3)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
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