input word = C00030042

Metabolite InformationStructural formula
Name Curassavioside E1
(-)-Curassavioside E1
Formula C53H80O19
Mw 1020.52938038
CAS RN 1035606-10-0
C_ID C00030042 ,
InChIKey JUXLMNHLMQXZTC-CDLDPMKNNA-N
InChICode InChI=1S/C53H80O19/c1-26-44(58)37(63-8)24-43(64-26)72-47-29(4)67-42(23-36(47)57)71-46-28(3)66-41(22-35(46)56)70-45-27(2)65-40(21-34(45)55)68-33-15-16-49(6)32(20-33)14-17-52(61)38(49)25-39(69-48(59)31-12-10-9-11-13-31)50(7)51(60,30(5)54)18-19-53(50,52)62/h9-14,26-30,33-47,54-58,60-62H,15-25H2,1-8H3/t26-,27-,28-,29-,30-,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,49+,50-,51-,52+,53-/m1/s1
SMILES CO[C@@H]1C[C@H](O[C@H]2[C@H](O)C[C@H](O[C@H]3[C@H](O)C[C@H](O[C@H]4[C@@H](O)C[C@H](O[C@H]5CC[C@@]6(C)C(=CC[C@]7(O)[C@@H]6C[C@@H](OC(=O)c6ccccc6)[C@@]6(C)[C@]7(O)CC[C@@]6(O)C(C)O)C5)O[C@@H]4C)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
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