input word = C00047301

Metabolite InformationStructural formula
Name Majusimine A
(-)-Majusimine A
Formula C45H47NO15
Mw 841.29456984
CAS RN 1097648-74-2
C_ID C00047301 ,
InChIKey CTAGOEYJISDADM-KXOSQPPZNA-N
InChICode InChI=1S/C45H47NO15/c1-20-28-31(60-41(53)26-15-11-9-12-16-26)29-36-45-34(30(46(36)8)38(57-23(4)50)44(29,37(20)56-22(3)49)35(45)32(28)55-21(2)48)43(7,19-47)39(58-24(5)51)33(40(45)59-25(6)52)61-42(54)27-17-13-10-14-18-27/h9-19,28-40H,1H2,2-8H3/t28-,29+,30+,31+,32+,33-,34+,35+,36+,37-,38+,39-,40+,43-,44-,45+/m0/s1
SMILES C=C1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H]3C4N(C)[C@H]5[C@@H](OC(C)=O)C3([C@H]1OC(C)=O)[C@@H]([C@@H]2OC(C)=O)C41[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@](C)(C=O)[C@@H]51
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium majus Ref.
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