input word = C00026029

Metabolite InformationStructural formula
Name Sciadoline
Formula C36H34N2O6
Mw 590.24168683
CAS RN 62404-95-9
C_ID C00026029 ,
InChIKey OBXLLMHUGZIEJW-DKKPLQGMNA-N
InChICode InChI=1S/C36H34N2O6/c1-38-16-14-24-20-30(41-3)34(42-4)36-32(24)28(38)18-22-7-11-25(12-8-22)43-35-31-23(19-29(40-2)33(35)39)13-15-37-27(31)17-21-5-9-26(44-36)10-6-21/h5-13,15,19-20,28,39H,14,16-18H2,1-4H3/t28-/m1/s1
SMILES c12cc(c(c3c1[C@H](N(CC2)C)Cc1ccc(cc1)Oc1c2c(Cc4ccc(O3)cc4)nccc2cc(c1O)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeSciadotenia toxifera Krukoff Ref.
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