input word = C00022960

Metabolite InformationStructural formula
Name Ternstroemiaxanthin
3-Hydroxy-beta,psi-caroten-18'-al
Formula C40H54O2
Mw 566.41238097
CAS RN 52789-63-6
C_ID C00022960 ,
InChIKey MLUKPOIWSTVUNY-GOVLNQEPNA-N
InChICode InChI=1S/C40H54O2/c1-31(2)16-12-24-37(30-41)25-15-23-34(5)21-13-19-32(3)17-10-11-18-33(4)20-14-22-35(6)26-27-39-36(7)28-38(42)29-40(39,8)9/h10-11,13-23,25-27,30,38,42H,12,24,28-29H2,1-9H3/b11-10+,19-13+,20-14+,23-15+,27-26+,32-17+,33-18+,34-21+,35-22+,37-25-/t38-/m0/s1
SMILES C1[C@H](CC(=C(C1(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C=O)\C)\C)/C)/C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceae/Pentaphylacaceae/TernstroemiaceaeTernstroemia japonica Ref.
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