input word = C00030038

Metabolite InformationStructural formula
Name Curassavioside A2
(-)-Curassavioside A2
Formula C47H68O16
Mw 888.45073613
CAS RN 1035606-05-3
C_ID C00030038 ,
InChIKey MZRAFZQAPHIUDA-SLIRYQJONA-N
InChICode InChI=1S/C47H68O16/c1-24-39(51)33(56-7)22-38(57-24)63-41-26(3)59-37(21-32(41)50)62-40-25(2)58-36(20-31(40)49)60-30-14-15-43(5)29(19-30)13-16-46(54)34(43)23-35(61-42(52)28-11-9-8-10-12-28)44(6)45(53,27(4)48)17-18-47(44,46)55/h8-13,24-26,30-41,49-51,53-55H,14-23H2,1-7H3/t24-,25-,26-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41-,43+,44-,45-,46+,47-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)C(=O)C)O)C)OC(=O)c1ccccc1)O)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
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