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CHEBI:141894 - Cymoside

ChEBI IDCHEBI:141894
ChEBI NameCymoside
Stars
Last Modified29 August 2018
Submittermwilliams
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FormulaC27H34N2O10
Net Charge0
Average Mass546.573
Monoisotopic Mass546.22135
SMILES[H][C@@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@]2([H])O[C@]3([H])CN[C@@]4([H])CC(C1C=C)C2(C(=O)OC)[C@]41Nc2ccccc2C31
InChIInChI=1S/C27H34N2O10/c1-3-11-13-8-17-27-18(12-6-4-5-7-14(12)29-27)15(9-28-17)37-25(26(13,27)24(34)35-2)39-22(11)38-23-21(33)20(32)19(31)16(10-30)36-23/h3-7,11,13,15-23,25,28-33H,1,8-10H2,2H3/t11?,13?,15-,16+,17+,18?,19+,20-,21+,22-,23-,25-,26?,27+/m1/s1
InChIKeyWDWBIMUMOSJVDO-DTXSXHOTSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cymoside (CHEBI:141894) is a monoterpenoid indole alkaloid (CHEBI:65323)