input word = C00036570

Metabolite InformationStructural formula
Name 4'-Deoxykanokoside A
(-)-4'-Deoxykanokoside A
Formula C21H32O11
Mw 460.19446187
CAS RN 502634-33-5
C_ID C00036570 ,
InChIKey SFNPKJAVSVEQDC-HOUVCXHHNA-N
InChICode InChI=1S/C21H32O11/c1-3-9(2)18(26)32-19-14-13(16-17(31-16)21(14,27)8-23)10(6-28-19)7-29-20-15(25)12(24)4-11(5-22)30-20/h6,9,11-17,19-20,22-25,27H,3-5,7-8H2,1-2H3/t9-,11-,12+,13-,14-,15+,16+,17+,19+,20-,21-/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1OC(=O)[C@@H](CC)C)[C@@]([C@@H]1[C@H]2O1)(CO)O)CO[C@H]1[C@H]([C@H](C[C@@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeCentranthus longiflorus ssp.longiflorus Ref.
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