input word = C00064172

Metabolite InformationStructural formula
Name Terrestrinin U
Formula C62H102O31
Mw 1342.64050655
CAS RN 2183492-03-5
C_ID C00064172
InChIKey RFMKTIBDRRRLIB-JDNUNKFNSA-N
InChICode InChI=1S/C62H102O31/c1-22-19-82-62(15-32(22)85-56-47(78)43(74)40(71)33(16-63)86-56)23(2)36-31(93-62)14-28-27-8-7-25-13-26(9-10-60(25,5)61(27,6)12-11-59(28,36)4)84-57-51(91-55-46(77)42(73)37(68)24(3)83-55)48(79)49(35(18-65)88-57)89-58-52(92-54-45(76)39(70)30(67)21-81-54)50(41(72)34(17-64)87-58)90-53-44(75)38(69)29(66)20-80-53/h22-58,63-79H,7-21H2,1-6H3/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+,62-/m1/s1
SMILES CC1COC2(CC1OC1OC(CO)C(O)C(O)C1O)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)C4(C)CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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OrganismTribulus terrestris
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.