input word = C00062545

Metabolite InformationStructural formula
Name Terrestrinin B
Formula C61H102O31
Mw 1330.64050655
CAS RN 637004-31-0
C_ID C00062545
InChIKey ZXWKMMUGIGJAII-RUVOILGBSA-N
InChICode InChI=1S/C61H102O31/c1-22(19-80-53-46(76)43(73)40(70)33(16-62)85-53)8-13-61(79)23(2)36-32(92-61)15-29-27-7-6-25-14-26(9-11-59(25,4)28(27)10-12-60(29,36)5)84-57-51(90-56-47(77)42(72)37(67)24(3)83-56)48(78)49(35(18-64)87-57)88-58-52(91-55-45(75)39(69)31(66)21-82-55)50(41(71)34(17-63)86-58)89-54-44(74)38(68)30(65)20-81-54/h22-58,62-79H,6-21H2,1-5H3/t22-,23-,24-,25-,26+,27+,28-,29-,30+,31+,32-,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+,46+,47+,48-,49-,50-,51+,52+,53+,54-,55-,56-,57+,58-,59-,60-,61+/m0/s1
SMILES CC(CCC1(O)OC2CC3C4CCC5CC(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)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
zoom in