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 COc1cc2c3c4c1OCc1cc(ccc1O4)C[C@@H]1c4c(cc(OC)c5c4Oc4cc(ccc4CO5)C[C@H]3N(C)CC2)CCN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeAntizoma angustifolia Ref.
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