input word = C00030058

Metabolite InformationStructural formula
Name Curassavioside L1
Formula C55H84O19
Mw 1048.5606805
CAS RN 1035606-40-6
C_ID C00030058 ,
InChIKey SQJXSGAFKJUKQM-RUMBBWAENA-N
InChICode InChI=1S/C55H84O19/c1-28-46(58)37(63-8)24-43(66-28)73-48-31(4)69-45(26-39(48)65-10)74-49-30(3)68-44(25-38(49)64-9)72-47-29(2)67-42(23-36(47)57)70-35-17-18-51(6)34(22-35)16-19-54(61)40(51)27-41(71-50(59)33-14-12-11-13-15-33)52(7)53(60,32(5)56)20-21-55(52,54)62/h11-16,28-32,35-49,56-58,60-62H,17-27H2,1-10H3/t28-,29-,30-,31-,32+,35+,36+,37-,38+,39-,40-,41-,42+,43+,44+,45+,46-,47-,48-,49-,51+,52-,53-,54+,55-/m1/s1
SMILES CO[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)c4ccccc4)[C@@]4(C)[C@]5(O)CC[C@@]4(O)[C@H](C)O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
zoom in