Terminology Service for NFDI4Health
Grahamine C, (rel)-
Go to external page
http://purl.obolibrary.org/obo/CHEBI_68892
Term info
Label
Grahamine C, (rel)-
Subsets
2_STAR
charge
0
formula
C35H46N2O9
has obo namespace
chebi_ontology
has related synonym
rel-1-methyl-2-{[(3alpha-hydroxytropo-6beta-yl)oxy]carbonyl}-4-{[((6beta-angeloyloxy)-3alpha-yl)oxy]carbonyl}-3-phenylcyclobutanecarboxylic acid
id
CHEBI:68892
inchi
InChI=1S/C35H46N2O9/c1-6-18(2)31(39)45-27-15-21-13-23(17-25(27)37(21)5)44-32(40)29-28(19-10-8-7-9-11-19)30(35(29,3)34(42)43)33(41)46-26-14-20-12-22(38)16-24(26)36(20)4/h6-11,20-30,38H,12-17H2,1-5H3,(H,42,43)/b18-6-/t20-,21-,22+,23-,24+,25+,26+,27+,28?,29?,30?,35?/m0/s1
inchikey
GASKASBXVJUTPJ-DJJAPDROSA-N
mass
638.74770
monoisotopicmass
638.32033
smiles
[H][C@]12C[C@@H](O)C[C@]([H])([C@@H](C1)OC(=O)C1C(C(C(=O)O[C@H]3C[C@@]4([H])C[C@@H](OC(=O)C(\C)=C/C)[C@@]([H])(C3)N4C)C1(C)C(O)=O)c1ccccc1)N2C
Term relations
Subclass of: