EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:145142 - (3beta,9beta,10alpha,22E,24R)-24,25-dihydroxy-4,4,9,14-tetramethyl-19-norcholesta-5,22-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

ChEBI IDCHEBI:145142
ChEBI Name(3beta,9beta,10alpha,22E,24R)-24,25-dihydroxy-4,4,9,14-tetramethyl-19-norcholesta-5,22-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Stars
Submittermwilliams
DownloadsMolfile
FormulaC42H70O13
Net Charge0
Average Mass783.009
Monoisotopic Mass782.48164
SMILES[H][C@@]12CC=C3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1(C)CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)/C=C/[C@@](C)(O)CO
InChIInChI=1S/C42H70O13/c1-22(11-14-38(4,51)21-44)23-12-15-41(7)27-10-9-26-37(2,3)28(13-16-40(26,6)42(27,8)18-17-39(23,41)5)55-36-34(50)32(48)30(46)25(54-36)20-52-35-33(49)31(47)29(45)24(19-43)53-35/h9,11,14,22-25,27-36,43-51H,10,12-13,15-21H2,1-8H3/b14-11+/t22-,23-,24-,25-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,38-,39-,40+,41+,42+/m1/s1
InChIKeyIDEKOYSZTPQLIV-HMPNLINGSA-N
Species of MetaboliteComponentSourceComments
Momordica charantia (ncbitaxon:3673) seed (BTO:0001226) MetaboLights (MTBLS701)
ChEBI Ontology
Outgoing Relation(s)
(3beta,9beta,10alpha,22E,24R)-24,25-dihydroxy-4,4,9,14-tetramethyl-19-norcholesta-5,22-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CHEBI:145142) is a 3-hydroxy steroid (CHEBI:36834)
(3beta,9beta,10alpha,22E,24R)-24,25-dihydroxy-4,4,9,14-tetramethyl-19-norcholesta-5,22-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CHEBI:145142) is a disaccharide derivative (CHEBI:63353)
(3beta,9beta,10alpha,22E,24R)-24,25-dihydroxy-4,4,9,14-tetramethyl-19-norcholesta-5,22-dien-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside (CHEBI:145142) is a β-D-glucoside (CHEBI:22798)