input word = C00033701

Metabolite InformationStructural formula
Name Caucasicoside A
(-)-Caucasicoside A
Formula C33H50O10
Mw 606.34039782
CAS RN 1011527-16-4
C_ID C00033701 ,
InChIKey FTAAFHHJONDBNZ-KKVHUZIHNA-N
InChICode InChI=1S/C33H50O10/c1-15(14-41-31-30(40)29(39)28(38)24(13-34)43-31)5-8-22-16(2)26-23(42-22)11-20-19-7-6-17-9-18(35)10-25(37)33(17,4)27(19)21(36)12-32(20,26)3/h6,18-21,23-31,34-40H,1,5,7-14H2,2-4H3/t18-,19+,20+,21-,23+,24-,25-,26+,27-,28+,29+,30-,31-,32+,33-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O)C)[C@@H](C[C@]1([C@H]3C[C@H]2[C@@H]1C(=C(O2)CCC(=C)CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeHelleborus caucasicus Ref.
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