input word = C00050623

Metabolite InformationStructural formula
Name 10-Isovaleryl kanokoside C
Formula C32H50O18
Mw 722.2997148
CAS RN 886054-12-2
C_ID C00050623
InChIKey NGYOKRAMXZLLQJ-NKDNESJMNA-N
InChICode InChI=1S/C32H50O18/c1-12(2)5-17(34)46-11-32(42)20-19(27-28(32)50-27)14(8-43-29(20)49-18(35)6-13(3)4)9-44-30-26(41)24(39)22(37)16(48-30)10-45-31-25(40)23(38)21(36)15(7-33)47-31/h8,12-13,15-16,19-31,33,36-42H,5-7,9-11H2,1-4H3/t15-,16-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28+,29+,30-,31-,32-/m1/s1
SMILES CC(C)CC(=O)OC[C@@]1(O)[C@H]2[C@H](OC(=O)CC(C)C)OC=C(CO[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2[C@@H]2O[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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