input word = C00030056

Metabolite InformationStructural formula
Name Curassavioside K1
(+)-Curassavioside K1
Formula C54H82O19
Mw 1034.54503044
CAS RN 1035606-36-0
C_ID C00030056 ,
InChIKey VUVPXXMCGKWUBI-BUCBQNCRNA-N
InChICode InChI=1S/C54H82O19/c1-27-45(58)37(63-8)24-43(65-27)71-47-29(3)67-42(23-36(47)57)73-48-30(4)68-44(25-38(48)64-9)72-46-28(2)66-41(22-35(46)56)69-34-16-17-50(6)33(21-34)15-18-53(61)39(50)26-40(70-49(59)32-13-11-10-12-14-32)51(7)52(60,31(5)55)19-20-54(51,53)62/h10-15,27-31,34-48,55-58,60-62H,16-26H2,1-9H3/t27-,28-,29-,30-,31+,34+,35+,36-,37-,38+,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50+,51-,52-,53+,54-/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@H](C)O)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)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)OC)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica Ref.
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