input word = C00040594

Metabolite InformationStructural formula
Name Tyrianthin 6
(-)-Tyrianthin 6
Formula C49H84O21
Mw 1008.55050975
CAS RN 930111-25-4
C_ID C00040594 ,
InChIKey SRKLMZZXYWBRGB-GGSJFICTNA-N
InChICode InChI=1S/C49H84O21/c1-8-11-17-21-29-22-18-15-13-12-14-16-19-23-32(52)65-43-40(68-46-38(58)37(57)39(27(6)61-46)67-45(59)25(4)10-3)28(7)62-49(44(43)66-31(51)20-9-2)70-42-36(56)34(54)30(24-50)64-48(42)69-41-35(55)33(53)26(5)60-47(41)63-29/h25-30,33-44,46-50,53-58H,8-24H2,1-7H3/t25-,26+,27+,28-,29+,30+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,46-,47-,48-,49-/m0/s1
SMILES CCCCCC1CCCCCCCCCC(=O)O[C@H]2C(OC(=O)CCC)[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)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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