input word = C00003572

Metabolite InformationStructural formula
Name Deltoside
Formula C51H84O23
Mw 1064.54033899
CAS RN 62751-68-2
C_ID C00003572 ,
InChIKey RPYHJEFMMXMMHG-GNQKZGFHNA-N
InChICode InChI=1S/C51H84O23/c1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-,46+,47+,48+,49+,50+,51-/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@](O)(CC[C@@H](C)CO[C@@H]8OC(CO)[C@@H](O)C(O)C8O)[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
PlantaeDioscoreaceaeDioscorea deltoidea Ref.
PlantaeDioscoreaceaeDioscorea parviflora Ref.
zoom in