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CHEBI:168032 - Madlongiside C

Default Structure
ChEBI IDCHEBI:168032
ChEBI NameMadlongiside C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O10
Net Charge0
Average Mass636.823
Monoisotopic Mass636.38735
SMILES[H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O)[C@@]1(C)CO
InChIInChI=1S/C35H56O10/c1-30(2)9-11-35(29(43)45-28-25(41)24(40)22(39)16-44-28)12-10-33(5)18(19(35)13-30)7-8-23-31(3)14-21(38)27(42)32(4,17-36)26(31)20(37)15-34(23,33)6/h7,19-28,36-42H,8-17H2,1-6H3/t19-,20+,21-,22-,23+,24-,25+,26+,27-,28-,31+,32-,33+,34+,35-/m0/s1
InChIKeyLHEBDLOFQQYJHH-FTTCVYLCSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Madlongiside C (CHEBI:168032) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-8,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Manual XrefsDatabases
10255872ChemSpider