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 CCCCCC1CCCCCCCCCC(=O)O[C@H]2C(OC(=O)C(C)C(C)O)[C@H](O[C@H]3[C@H](O[C@H]4[C@H](O1)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H](C)[C@@H]2O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea tyrianthina Ref.
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