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CHEBI:181670 - Urceolide

ChEBI IDCHEBI:181670
ChEBI NameUrceolide
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FormulaC21H34O11
Net Charge0
Average Mass462.492
Monoisotopic Mass462.21011
SMILES[H][C@@]12OCC[C@@H](C)CC/C=C(\C)C(=O)OC[C@@]3(O)CO[C@@]([H])(OC[C@@]([H])(O1)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3O
WURCSWURCS=2.0/2,2,2/[a2122h-1b_1-5][a26h-1b_1-4]/1-2/a1n1-b3n2*1OCCC^SCCC=^ECCOC*2/10=O/9C/5C_a6-b1
InChIInChI=1S/C21H34O11/c1-11-4-3-5-12(2)18(26)30-9-21(27)10-31-20(17(21)25)29-8-13-14(22)15(23)16(24)19(32-13)28-7-6-11/h5,11,13-17,19-20,22-25,27H,3-4,6-10H2,1-2H3/b12-5+/t11-,13+,14+,15-,16+,17-,19+,20+,21+/m0/s1
InChIKeyFSTIKTPQGMHLFJ-AIECACTBSA-N
ChEBI Ontology
Outgoing Relation(s)
Urceolide (CHEBI:181670) is a disaccharide (CHEBI:36233)
IUPAC Name 
(1R,4R,7S,11E,15S,19R,20R,21S,22S,24R)-7,20,21,22,24-pentahydroxy-11,15-dimethyl-3,5,9,18,23-pentaoxatricyclo[17.3.1.14,7]tetracos-11-en-10-one
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