input word = C00060914

Metabolite InformationStructural formula
Name Triptonine B
Formula C45H55NO22
Mw 961.32157245
CAS RN 226980-25-2
C_ID C00060914
InChIKey GSBZVVMZYQMZBG-UHFFFAOYSA-N
InChICode InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30-,31-,32+,33-,34+,35-,36+,41+,42?,43+,44-,45+/m1/s1
SMILES COC(=O)CC1C(=O)CCC(C)C(=O)OC2C3C(OC(C)=O)C45OC3(C)COC(=O)c3cnccc3C(C)C(C)(O)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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