input word = C00060230

Metabolite InformationStructural formula
Name Terrestrinin I
Formula C45H72O20
Mw 932.46169474
CAS RN 1626348-28-4
C_ID C00060230
InChIKey GVPBMHWSFYNZKX-MLBVIHRCSA-N
InChICode InChI=1S/C45H72O20/c1-17-16-58-45(12-25(17)60-41-36(55)33(52)31(50)26(13-46)61-41)18(2)30-24(65-45)10-23-21-6-5-19-9-20(7-8-43(19,3)22(21)11-29(49)44(23,30)4)59-40-38(57)35(54)39(28(15-48)63-40)64-42-37(56)34(53)32(51)27(14-47)62-42/h17-28,30-42,46-48,50-57H,5-16H2,1-4H3/t17-,18-,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 CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)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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