input word = C00035464

Metabolite InformationStructural formula
Name 14-Demethyl-14-isobutyrylanhweidelphinine
Formula C38H48N2O11
Mw 708.32581039
CAS RN 767355-97-5
C_ID C00035464 ,
InChIKey INAJTNNYZLKVBQ-CHLQFZLXNA-N
InChICode InChI=1S/C38H48N2O11/c1-18(2)32(43)51-28-21-14-22-27(28)36(45,15-24(21)47-4)38(46)30(49-6)29-35(12-11-25(48-5)37(22,29)34(38)39-16-35)17-50-33(44)20-9-7-8-10-23(20)40-26(41)13-19(3)31(40)42/h7-10,16,18-19,21-22,24-25,27-30,34,45-46H,11-15,17H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,34-,35-,36+,37-,38+/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(C=N1)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.
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