input word = C00005816

Metabolite InformationStructural formula
Name Hexandraside C
Formula C43H56O24
Mw 956.31615272
CAS RN 137218-01-0
C_ID C00005816 ,
InChIKey GKVRQPHAMQILQC-DGDLGCADNA-N
InChICode InChI=1S/C43H56O24/c1-14(2)4-9-18-21(61-43-39(32(56)28(52)23(12-45)63-43)67-41-34(58)30(54)27(51)22(11-44)62-41)10-19(47)24-29(53)37(35(64-36(18)24)16-5-7-17(46)8-6-16)65-42-38(31(55)25(49)15(3)60-42)66-40-33(57)26(50)20(48)13-59-40/h4-8,10,15,20,22-23,25-28,30-34,38-52,54-58H,9,11-13H2,1-3H3/t15-,20-,22-,23+,25-,26-,27+,28+,30-,31-,32-,33-,34?,38+,39+,40+,41-,42-,43+/m0/s1
SMILES CC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(C)[C@H](O)[C@H](O)C3O[C@@H]3OC[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeVancouveria hexandra Ref.
--Vancouvaria hexandra Ref.
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