input word = C00042439

Metabolite InformationStructural formula
Name Cynascyroside C
(-)-Cynascyroside C
Formula C46H70O18
Mw 910.45621543
CAS RN 876384-28-0
C_ID C00042439 ,
InChIKey LXQUMKIZBPMPDF-VUEBSEQRNA-N
InChICode InChI=1S/C46H70O18/c1-20-25(12-13-56-20)26-10-11-28-27(38(26)50)9-8-24-14-31(30(49)18-46(24,28)5)60-36-16-32(54-6)43(22(3)58-36)63-35-15-29(48)42(21(2)57-35)62-37-17-33(55-7)44(23(4)59-37)64-45-41(53)40(52)39(51)34(19-47)61-45/h8,12-13,21-23,26-37,39-45,47-49,51-53H,9-11,14-19H2,1-7H3/t21-,22-,23+,26-,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37+,39-,40+,41-,42-,43-,44+,45+,46+/m1/s1
SMILES CO[C@H]1C[C@H](O[C@@H]2CC3=CC[C@H]4C(=O)[C@@H](c5ccoc5C)CC[C@@H]4[C@@]3(C)C[C@H]2O)O[C@H](C)[C@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@@H](OC)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)O2)[C@@H](C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum ascyrifolium Ref.
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