Terminology Service for NFDI4Health
Grahamine E, (rel)-1
Go to external page
http://purl.obolibrary.org/obo/CHEBI_68894
Term info
Label
Grahamine E, (rel)-1
Subsets
2_STAR
charge
0
formula
C48H63N3O13
has obo namespace
chebi_ontology
has related synonym
rel-1-{[(3alpha-mesaconyloxytropo-6beta-yl)oxy]carbonyl}-2-{[(3alpha-hydroxytropo-6beta-yl)oxy]carbonyl}-2-methyl-3-{[((6beta-angeloyloxy)-3alpha-yl)oxy]carbonyl}-4-phenylcyclobutanecarboxylate
id
CHEBI:68894
inchi
InChI=1S/C48H63N3O13/c1-8-24(2)44(56)62-36-19-29-17-32(23-35(36)51(29)7)61-45(57)41-40(26-12-10-9-11-13-26)42(48(41,4)47(59)64-38-18-27-15-30(52)21-33(38)49(27)5)46(58)63-37-20-28-16-31(22-34(37)50(28)6)60-39(53)14-25(3)43(54)55/h8-14,27-38,40-42,52H,15-23H2,1-7H3,(H,54,55)/b24-8-,25-14+/t27-,28-,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,40?,41?,42?,48?/m0/s1
inchikey
JFDUSOBIQVQCGI-WGXAKPSISA-N
mass
890.02610
monoisotopicmass
889.43609
smiles
[H][C@]12C[C@@H](O)C[C@]([H])([C@@H](C1)OC(=O)C1(C)C(C(C1C(=O)O[C@@H]1C[C@]3([H])C[C@H](C[C@@]1([H])N3C)OC(=O)\C=C(/C)C(O)=O)c1ccccc1)C(=O)O[C@H]1C[C@@]3([H])C[C@@H](OC(=O)C(\C)=C/C)[C@@]([H])(C1)N3C)N2C
Term relations
Subclass of: