input word = C00060913

Metabolite InformationStructural formula
Name Triptonine A
Formula C45H55NO21
Mw 945.32665783
CAS RN 226979-90-4
C_ID C00060913
InChIKey GHLDKPNDMMVFDQ-UHFFFAOYSA-N
InChICode InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20-,21-,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1
SMILES COC(=O)CC1C(=O)CCC(C)C(=O)OC2C3C(OC(C)=O)C45OC3(C)COC(=O)c3cccnc3C(C)C(C)C(=O)OC(C(OC(C)=O)C(OC(C)=O)C4(COC1=O)C2OC(C)=O)C5(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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