input word = C00040590

Metabolite InformationStructural formula
Name Tyrianthin 2
(-)-Tyrianthin 2
Formula C55H94O25
Mw 1154.60841856
CAS RN 930106-37-9
C_ID C00040590 ,
InChIKey OFBIZKWQKSONBT-CZCGYOBGNA-N
InChICode InChI=1S/C55H94O25/c1-11-12-18-21-34-22-19-16-14-13-15-17-20-23-36(59)75-47-44(78-52-42(65)41(64)43(32(9)71-52)76-50(67)26(3)29(6)57)33(10)72-55(48(47)77-51(68)27(4)30(7)58)80-46-40(63)38(61)35(24-69-49(66)25(2)28(5)56)74-54(46)79-45-39(62)37(60)31(8)70-53(45)73-34/h25-35,37-48,52-58,60-65H,11-24H2,1-10H3/t25-,26-,27-,28-,29+,30+,31+,32+,33-,34+,35+,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47+,48-,52-,53-,54-,55-/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](COC(=O)C(C)C(C)O)[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.
zoom in



OrganismIpomoea tyrianthina
ReferenceMiron-Lopez,J.Nat.Prod.,70,(2007),557