Terminology Service for NFDI4Health
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Sg17-1-4

Go to external page http://purl.obolibrary.org/obo/CHEBI_66478

A member of the class of isocoumarins isolated from the marine fungus Alternaria tenuis and has been shown to exhibit cytotoxic activities.

Term info

Label

Sg17-1-4

Synonyms
  • (2S,3S)-2,3-dihydroxy-3-[(3S,5S)-2-hydroxy-2,3-dimethyl-7-oxo-1,4-oxazepan-5-yl]-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}propanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S,3S)-2,3-dihydroxy-3-[(3S,5S)-2-hydroxy-2,3-dimethyl-7-oxo-1,4-oxazepan-5-yl]-N-{(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydro-1H-isochromen-3-yl]-3-methylbutyl}propanamide [ IUPAC ]

charge

0

formula

C24H34N2O9

has obo namespace

chebi_ontology

id

CHEBI:66478

inchi

InChI=1S/C24H34N2O9/c1-11(2)8-14(17-9-13-6-5-7-16(27)19(13)23(32)34-17)26-22(31)21(30)20(29)15-10-18(28)35-24(4,33)12(3)25-15/h5-7,11-12,14-15,17,20-21,25,27,29-30,33H,8-10H2,1-4H3,(H,26,31)/t12-,14-,15-,17-,20-,21-,24?/m0/s1

inchikey

VWEGLEKHUIRPCH-BGAXJHJKSA-N

mass

494.53480

monoisotopicmass

494.22643

smiles

[H][C@]1(CC(=O)OC(C)(O)[C@H](C)N1)[C@H](O)[C@H](O)C(=O)N[C@@H](CC(C)C)[C@]1([H])Cc2cccc(O)c2C(=O)O1