input word = C00064111

Metabolite InformationStructural formula
Name Pegaharmine D
Formula C30H34N4O7
Mw 562.24274947
CAS RN 1962990-20-0
C_ID C00064111
InChIKey ZXUWRYMNSJDAGD-SSEXGKCCSA-N
InChICode InChI=1S/C30H34N4O7/c1-30(27-22(11-13-34(30)29(37)41-5)20-9-7-18(39-3)15-24(20)33-27)16-25(35)26-21(10-12-31-28(36)40-4)19-8-6-17(38-2)14-23(19)32-26/h6-9,14-15,32-33H,10-13,16H2,1-5H3,(H,31,36)/t30-/m1/s1
SMILES COC(=O)NCCc1c(C(=O)CC2(C)c3[nH]c4cc(OC)ccc4c3CCN2C(=O)OC)[nH]c2cc(OC)ccc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNitrariaceaePeganum harmala Ref.
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