input word = C00027134

Metabolite InformationStructural formula
Name Cissacapine
Formula C38H38N2O6
Mw 618.27298696
CAS RN 847020-31-9
C_ID C00027134 ,
InChIKey MKIUEVKZBIGWTM-LEFKRGDZNA-N
InChICode InChI=1S/C38H38N2O6/c1-39-11-10-24-18-32(42-4)36-38-34(24)27(39)14-21-6-8-29-26(13-21)20-44-35-31(41-3)17-23-9-12-40(2)28(33(23)37(35)45-29)15-22-5-7-25(19-43-36)30(16-22)46-38/h5-8,13,16-18,27-28H,9-12,14-15,19-20H2,1-4H3/t27-,28-/m1/s1
SMILES c12cc3c(cc1)COc1c(O3)c3c(cc1OC)CCN([C@@H]3Cc1ccc3c(c1)COc1c(O3)c3c(cc1OC)CCN([C@@H]3C2)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeAntizoma angustifolia Ref.
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