input word = C00040593

Metabolite InformationStructural formula
Name Tyrianthin 5
(-)-Tyrianthin 5
Formula C50H86O23
Mw 1054.55598906
CAS RN 930111-24-3
C_ID C00040593 ,
InChIKey NONWDJKCKTUZAI-HSAFJWRFNA-N
InChICode InChI=1S/C50H86O23/c1-9-10-16-19-30-20-17-14-12-11-13-15-18-21-32(54)68-43-40(71-47-38(60)37(59)39(28(7)64-47)69-45(61)23(2)25(4)52)29(8)65-50(44(43)70-46(62)24(3)26(5)53)73-42-36(58)34(56)31(22-51)67-49(42)72-41-35(57)33(55)27(6)63-48(41)66-30/h23-31,33-44,47-53,55-60H,9-22H2,1-8H3/t23-,24-,25-,26+,27+,28+,29-,30+,31+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,47-,48-,49-,50-/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](OC(=O)C(C)C(C)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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OrganismIpomoea tyrianthina
ReferenceMiron-Lopez,J.Nat.Prod.,70,(2007),557