EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80723 - Meliantriol

ChEBI IDCHEBI:80723
ChEBI NameMeliantriol
Stars
DownloadsMolfile
FormulaC30H50O5
Net Charge0
Average Mass490.725
Monoisotopic Mass490.36582
SMILES[H][C@@]1([C@@]2([H])C[C@H](O)O[C@@]2([H])[C@H](O)C(C)(C)O)CC[C@]2(C)C3=CC[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]12C
InChIInChI=1S/C30H50O5/c1-26(2)21-9-8-20-19(28(21,5)13-12-22(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-23(32)35-24(17)25(33)27(3,4)34/h8,17-19,21-25,31-34H,9-16H2,1-7H3/t17-,18+,19+,21+,22+,23-,24-,25+,28-,29+,30-/m1/s1
InChIKeyNHYIETFMKIFXQL-VPEHNIDMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Meliantriol (CHEBI:80723) is a bile acid (CHEBI:3098)
Manual XrefsDatabases
C16783KEGG COMPOUND
Registry NumbersSources
CAS:25278-95-9KEGG COMPOUND