CHEBI:81319 - 3-Methoxytyramine-betaxanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Methoxytyramine-betaxanthin
ChEBI ID CHEBI:81319
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H20N2O6
Net Charge 0
Average Mass 360.36120
Monoisotopic Mass 360.13214
InChI InChI=1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7-/t14-/m0/s1
InChIKey SBHOSQZNRDXQAX-WSESCXGKSA-N
SMILES COc1cc(CC\N=C/C=C2C[C@H](NC(=C\2)C(O)=O)C(O)=O)ccc1O
ChEBI Ontology
Outgoing 3-Methoxytyramine-betaxanthin (CHEBI:81319) is a phenols (CHEBI:33853)
Manual Xref Database
C17754 KEGG COMPOUND
View more database links
Last Modified
26 March 2015