EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210003 - (18R )-18-O-a-L-Rhamnopyranosyl-(1-6)-b-D-glucopyranosideof murolic acid

ChEBI IDCHEBI:210003
ChEBI Name(18R )-18-O-a-L-Rhamnopyranosyl-(1-6)-b-D-glucopyranosideof murolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H56O14
Net Charge0
Average Mass676.797
Monoisotopic Mass676.36701
SMILESC=C1C(=O)O[C@@H](CCCCCCCCCCCCC[C@@H](C)O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1C(=O)O
InChIInChI=1S/C33H56O14/c1-18(15-13-11-9-7-5-4-6-8-10-12-14-16-21-23(30(40)41)19(2)31(42)46-21)44-33-29(39)27(37)25(35)22(47-33)17-43-32-28(38)26(36)24(34)20(3)45-32/h18,20-29,32-39H,2,4-17H2,1,3H3,(H,40,41)/t18-,20+,21+,22-,23+,24-,25-,26+,27+,28-,29-,32-,33-/m1/s1
InChIKeyZCTHCROJPGMVRW-QOJMCLEWSA-N
Species of MetaboliteComponentSourceComments
Acarospora (ncbitaxon:88747) - PubMed (10963458)
ChEBI Ontology
Outgoing Relation(s)
(18R )-18-O-a-L-Rhamnopyranosyl-(1-6)-b-D-glucopyranosideof murolic acid (CHEBI:210003) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3S)-4-methylidene-5-oxo-2-[(14R)-14-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxypentadecyl]oxolane-3-carboxylic acid
Manual XrefsDatabases
78439841ChemSpider