input word = C00040595

Metabolite InformationStructural formula
Name Tyrianthin 7
(-)-Tyrianthin 7
Formula C45H78O21
Mw 954.50355956
CAS RN 930111-26-5
C_ID C00040595 ,
InChIKey ZGNFLLKKSGRAGI-UFSWUWBMNA-N
InChICode InChI=1S/C45H78O21/c1-7-8-14-17-26-18-15-12-10-9-11-13-16-19-28(48)62-39-36(64-42-35(55)32(52)29(49)23(4)57-42)25(6)59-45(40(39)63-41(56)21(2)22(3)47)66-38-34(54)31(51)27(20-46)61-44(38)65-37-33(53)30(50)24(5)58-43(37)60-26/h21-27,29-40,42-47,49-55H,7-20H2,1-6H3/t21-,22+,23+,24+,25-,26+,27+,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39+,40+,42-,43-,44-,45-/m0/s1
SMILES [C@@H]1(O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)O[C@H]1[C@@H]([C@H](OC(=O)CCCCCCCCC[C@H](O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)O)O2)CCCCC)[C@H]([C@@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C)OC(=O)[C@H]([C@@H](C)O)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea tyrianthina Ref.
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