input word = C00060438

Metabolite InformationStructural formula
Name Terrestrosin A
Formula C45H74O18
Mw 902.48751556
CAS RN 179799-23-6
C_ID C00060438
InChIKey JNTJNUDLVQQYGM-MYQPGGKYSA-N
InChICode InChI=1S/C45H74O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h19-42,46-55H,5-18H2,1-4H3/t19?,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 CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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