input word = C00051777

Metabolite InformationStructural formula
Name 16-Methoxy-2,3-dihydro-3hydro-3-hydroxytabersoine
Formula C22H28N2O4
Mw 384.2049074
CAS RN
C_ID C00051777
InChIKey
InChICode InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1
SMILES [C@H]12[C@@]3(C[C@@]([C@H]4[C@@]1(c1c(N4)cc(cc1)OC)CCN2CC=C3)(C(=O)OC)O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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OrganismCatharanthus roseus
ReferenceP.Paul et al.,New Phytologist, (2016),1-17