input word = C00003571

Metabolite InformationStructural formula
Name Deltonin
Formula C45H72O17
Mw 884.47695088
CAS RN 55659-75-1
C_ID C00003571 ,
InChIKey OLAMGHNQGZIWHZ-OSIXJHLQNA-N
InChICode InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+,41+,42+,43+,44+,45-/m1/s1
SMILES CC1O[C@@H](OC2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)OC(CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium vineale Ref.
PlantaeDioscoreaceaeDioscorea cayenensis Ref.
PlantaeDioscoreaceaeDioscorea cyphocarpa Ref.
PlantaeDioscoreaceaeDioscorea deltoidea Ref.
PlantaeDioscoreaceaeDioscorea nipponica Ref.
PlantaeDioscoreaceaeDioscorea parviflora Ref.
PlantaeDioscoreaceaeDioscorea villosa Ref.
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