input word = C00026003

Metabolite InformationStructural formula
Name Pandicine
Formula C44H50N4O7
Mw 746.36794998
CAS RN 76282-39-8
C_ID C00026003 ,
InChIKey RKBLGNPKDGETAR-OUKQBFOZNA-N
InChICode InChI=1S/C44H50N4O7/c1-7-43-19-26(41(50)53-6)39-44(28-18-33(49)37(51-4)38(52-5)34(28)45-39)14-15-48(42(43)44)30(36-40(43)55-36)13-12-22-20-54-21-27-24(22)16-32-35-25(17-31(27)46(32)2)23-10-8-9-11-29(23)47(35)3/h8-13,18,20,24,27,30-32,36,40,42,45,49H,7,14-17,19,21H2,1-6H3/b13-12+/t24-,27+,30-,31-,32-,36+,40+,42-,43+,44-/m1/s1
SMILES c1(c(c(c2c(c1)[C@]13C(=C(C[C@@]4([C@H]1N([C@@H]([C@H]1[C@@H]4O1)/C=C/C1=COC[C@H]4[C@@H]1C[C@@H]1c5c(C[C@H]4N1C)c1c(n5C)cccc1)CC3)CC)C(=O)OC)N2)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePandacastrum saccharatum Ref.
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