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CHEBI:141872 - cadambine

ChEBI IDCHEBI:141872
ChEBI Namecadambine
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Last Modified19 December 2018
Submittermwilliams
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FormulaC27H32N2O10
Net Charge0
Average Mass544.557
Monoisotopic Mass544.20570
SMILES[H][C@@]1(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)[C@@]2([H])C[C@@]34O[C@]([H])(CN3CCc3c4nc4ccccc34)[C@@]12[H]
InChIInChI=1S/C27H32N2O10/c1-35-24(34)15-11-36-25(38-26-22(33)21(32)20(31)18(10-30)37-26)19-14(15)8-27-23-13(6-7-29(27)9-17(19)39-27)12-4-2-3-5-16(12)28-23/h2-5,11,14,17-22,25-26,28,30-33H,6-10H2,1H3/t14-,17-,18?,19+,20?,21?,22?,25+,26?,27+/m1/s1
InChIKeyOVRROYYXOBYCSR-OTZSZKQMSA-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)
cadambine (CHEBI:141872) is a monoterpenoid indole alkaloid (CHEBI:65323)