input word = C00064171

Metabolite InformationStructural formula
Name Terrestrinin T
Formula C61H100O32
Mw 1344.6197711
CAS RN 2183492-02-4
C_ID C00064171
InChIKey UQZPIWLVCRZJBY-HDBWUTTRSA-N
InChICode InChI=1S/C61H100O32/c1-22(19-81-54-47(78)44(75)41(72)33(16-62)87-54)6-9-36(68)86-32-15-29-27-8-7-25-14-26(10-12-60(25,4)28(27)11-13-61(29,5)37(32)23(2)65)85-58-52(92-57-48(79)43(74)38(69)24(3)84-57)49(80)50(35(18-64)89-58)90-59-53(93-56-46(77)40(71)31(67)21-83-56)51(42(73)34(17-63)88-59)91-55-45(76)39(70)30(66)20-82-55/h22,24-35,37-59,62-64,66-67,69-80H,6-21H2,1-5H3/t22-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,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+/m1/s1
SMILES CC(=O)C1C(OC(=O)CCC(C)COC2OC(CO)C(O)C(O)C2O)CC2C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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