CHEBI:141872 - cadambine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cadambine
ChEBI ID CHEBI:141872
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information eMolecules:1012333, ZINC000000120249
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Formula C27H32N2O10
Net Charge 0
Average Mass 544.551
Monoisotopic Mass 544.20570
InChI InChI=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
InChIKey OVRROYYXOBYCSR-OTZSZKQMSA-N
SMILES COC(C1=CO[C@]([C@]2([C@@]1(C[C@@]34C5=C(CCN4C[C@]2(O3)[H])C6=CC=CC=C6N5)[H])[H])(OC7C(C(C(C(CO)O7)O)O)O)[H])=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cadambine (CHEBI:141872) is a monoterpenoid indole alkaloid (CHEBI:65323)
Last Modified
19 December 2018