input word = C00040589

Metabolite InformationStructural formula
Name Tyrianthin 1
(-)-Tyrianthin 1
Formula C55H94O24
Mw 1138.61350393
CAS RN 930106-36-8
C_ID C00040589 ,
InChIKey CIJLZGKRTCJDJE-KHDLBVLLNA-N
InChICode InChI=1S/C55H94O24/c1-11-13-19-22-34-23-20-17-15-14-16-18-21-24-36(58)74-47-44(77-52-42(64)41(63)43(32(9)70-52)75-49(65)26(3)12-2)33(10)71-55(48(47)76-51(67)28(5)30(7)57)79-46-40(62)38(60)35(25-68-50(66)27(4)29(6)56)73-54(46)78-45-39(61)37(59)31(8)69-53(45)72-34/h26-35,37-48,52-57,59-64H,11-25H2,1-10H3/t26-,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+/m1/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)CC)[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