input word = C00027396

Metabolite InformationStructural formula
Name Isothalmidine
(+)-Isothalmidine
Formula C37H36N2O7
Mw 620.25225152
CAS RN 307342-52-5
C_ID C00027396 ,
InChIKey ANFCLBKOBMSSLU-UHFFFAOYNA-N
InChICode InChI=1S/C37H36N2O7/c1-38-12-11-23-16-33(44-3)36-27-17-25-26(18-31(27)43-2)34(45-4)19-39(20-40)28(25)13-21-5-8-24(9-6-21)46-32-15-22(7-10-30(32)41)14-29(38)35(23)37(36)42/h5-10,15-20,28-29,41-42H,11-14H2,1-4H3/t28-,29+/m1/s1
SMILES c12c3cc(c(c1)c1c(cc4CCN([C@@H](Cc5cc(c(O)cc5)Oc5ccc(C[C@H]2N(C=C3OC)C=O)cc5)c4c1O)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeIsopyrum thalictroides Ref.
zoom in