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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
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