input word = C00036571

Metabolite InformationStructural formula
Name 4'-Deoxykanokoside C
Formula C27H42O16
Mw 622.2472853
CAS RN 502634-34-6
C_ID C00036571 ,
InChIKey AMTCLRIJFBDNSG-YLRHQJQCNA-N
InChICode InChI=1S/C27H42O16/c1-3-10(2)23(35)43-24-16-15(21-22(42-21)27(16,36)9-29)11(6-37-24)7-38-25-17(31)13(30)4-12(40-25)8-39-26-20(34)19(33)18(32)14(5-28)41-26/h6,10,12-22,24-26,28-34,36H,3-5,7-9H2,1-2H3/t10-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21-,22-,24-,25-,26+,27+/m0/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[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)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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