input word = C00061519

Metabolite InformationStructural formula
Name (3beta,5alpha,22alpha,25S)-3-[(2-O-beta-D-Glucopyranosyl-beta-D-galactopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-22-hydroxy-furostan-12-one
Formula C45H74O20
Mw 934.47734481
CAS RN 343265-99-6
C_ID C00061519
InChIKey QRZZBHHRPYNGFQ-JUWAQOHTSA-N
InChICode InChI=1S/C45H74O20/c1-18(17-59-40-37(56)34(53)31(50)26(14-46)61-40)7-10-45(58)19(2)30-25(65-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)60-42-39(36(55)33(52)28(16-48)63-42)64-41-38(57)35(54)32(51)27(15-47)62-41/h18-28,30-42,46-48,50-58H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28+,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43-,44+,45+/m0/s1
SMILES CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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OrganismTribulus terrestris
Referencehttps://doi.org/10.1007/BF02491733