input word = C00059549

Metabolite InformationStructural formula
Name Timosaponin T-N
Formula C45H76O20
Mw 936.49299487
CAS RN 1276608-20-8
C_ID C00059549
InChIKey QBIMZENDJORDDF-VPVPRRGQSA-N
InChICode InChI=1S/C45H76O20/c1-17(16-59-41-37(57)34(54)30(50)25(13-46)62-41)5-8-23-18(2)28-39(60-23)33(53)29-20-7-6-19-11-24(22(49)12-45(19,4)21(20)9-10-44(28,29)3)61-43-40(36(56)32(52)27(15-48)64-43)65-42-38(58)35(55)31(51)26(14-47)63-42/h17-43,46-58H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22?,23?,24+,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42-,43+,44+,45-/m0/s1
SMILES CC(CCC1OC2C(O)C3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
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