input word = C00011086

Metabolite InformationStructural formula
Name Violdelphin
Formula C53H59O30
Mw 1175.30911555
CAS RN 126417-59-2
C_ID C00011086 ,
InChIKey YODABPUZPVYDEF-SHRLHFKWNA-O
InChICode InChI=1S/C53H58O30/c1-18-34(58)39(63)43(67)50(76-18)75-17-33-38(62)42(66)46(70)53(83-33)80-30-14-25-26(55)12-24(13-29(25)79-47(30)21-10-27(56)35(59)28(57)11-21)78-52-45(69)41(65)37(61)32(82-52)16-74-49(72)20-4-8-23(9-5-20)77-51-44(68)40(64)36(60)31(81-51)15-73-48(71)19-2-6-22(54)7-3-19/h2-14,18,31-34,36-46,50-53,58,60-70H,15-17H2,1H3,(H4-,54,55,56,57,59,71)/p+1/t18-,31-,32+,33-,34+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45-,46-,50-,51-,52-,53-/m1/s1
SMILES CC1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O[C@@H]5OC(COC(=O)c6ccc(O[C@@H]7OC(COC(=O)c8ccc(O)cc8)[C@@H](O)[C@H](O)C7O)cc6)[C@@H](O)[C@H](O)C5O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O)C(O)[C@@H]2O)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum chinense Ref.
zoom in



OrganismAconitum chinense
ReferenceTakeda,Phytochem.,36,(1994),613