input word = C00024827

Metabolite InformationStructural formula
Name Acetyldelgrandine
(-)-Delgrandine acetate
Formula C43H45NO13
Mw 783.28909053
CAS RN 145204-96-2
C_ID C00024827 ,
InChIKey UTRUZCIGILHBOA-YDXYUGKLNA-N
InChICode InChI=1S/C43H45NO13/c1-20-18-42-28-30(56-39(50)25-14-10-8-11-15-25)27(20)31(52-21(2)46)34(42)43-33(29(44(7)35(28)43)36(42)53-22(3)47)41(6,19-45)37(54-23(4)48)32(38(43)55-24(5)49)57-40(51)26-16-12-9-13-17-26/h8-17,19,27-38H,1,18H2,2-7H3/t27-,28+,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,41-,42-,43+/m0/s1
SMILES C=C1CC23[C@@H]4C(OC(=O)c5ccccc5)[C@H]1[C@@H](OC(C)=O)[C@H]2C12C4N(C)[C@@H]([C@H]3OC(C)=O)[C@@H]1[C@](C)(C=O)[C@@H](OC(C)=O)[C@H](OC(=O)c1ccccc1)[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium grandiflorum Ref.
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