input word = C00061945

Metabolite InformationStructural formula
Name (3beta,5alpha,25R)-3-[(O-beta-D-Xylopyranosyl-(1->2)-O-[beta-D-xylopyranosyl-(1->3)]-O-beta-D-glucopyranosyl-(1->4)-O-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-beta-D-galactopyranosyl)oxy]-spirostan-12-one
Formula C55H88O26
Mw 1164.55638299
CAS RN 496972-23-7
C_ID C00061945
InChIKey FUFWMYZFCUYUFQ-FUWOQKDGSA-N
InChICode InChI=1S/C55H88O26/c1-20-8-11-55(72-17-20)21(2)34-30(81-55)13-27-25-7-6-23-12-24(9-10-53(23,4)26(25)14-33(60)54(27,34)5)74-51-46(79-50-42(68)39(65)35(61)22(3)73-50)43(69)44(32(16-57)76-51)77-52-47(80-49-41(67)37(63)29(59)19-71-49)45(38(64)31(15-56)75-52)78-48-40(66)36(62)28(58)18-70-48/h20-32,34-52,56-59,61-69H,6-19H2,1-5H3/t20-,21+,22+,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,34+,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48+,49+,50+,51-,52+,53+,54-,55-/m1/s1
SMILES CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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