input word = C00035462

Metabolite InformationStructural formula
Name 14-Deacetyl-14-isobutyrylnudicauline
Formula C40H54N2O11
Mw 738.37276058
CAS RN 254876-71-6
C_ID C00035462 ,
InChIKey XHBNFOLVAHXXMZ-PXYMNCNQNA-N
InChICode InChI=1S/C40H54N2O11/c1-8-41-18-37(19-52-35(46)22-11-9-10-12-25(22)42-28(43)15-21(4)33(42)44)14-13-27(50-6)39-24-16-23-26(49-5)17-38(47,29(24)30(23)53-34(45)20(2)3)40(48,36(39)41)32(51-7)31(37)39/h9-12,20-21,23-24,26-27,29-32,36,47-48H,8,13-19H2,1-7H3/t21-,23+,24+,26-,27-,29+,30-,31+,32-,36-,37-,38+,39-,40+/m0/s1
SMILES [C@H]12[C@@]3([C@H]([C@H]4[C@]2([C@@H]2C[C@@H]5[C@H](C[C@]3([C@H]2[C@H]5OC(=O)C(C)C)O)OC)[C@H](CC[C@]4(CN1CC)COC(=O)c1c(cccc1)N1C(=O)[C@H](CC1=O)C)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium pentagynum Ref.
PlantaeRanunculaceaeDelphinium stapeliosum Ref.
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