input word = C00010647

Metabolite InformationStructural formula
Name Kanokoside D
Formula C27H44O16
Mw 624.26293536
CAS RN 64703-88-4
C_ID C00010647 ,
InChIKey AKTRFOPOAKDICT-ADJULVAZNA-N
InChICode InChI=1S/C27H44O16/c1-10(2)3-17(31)43-25-18-12(4-14(30)13(18)5-28)11(7-38-25)8-39-26-24(37)22(35)20(33)16(42-26)9-40-27-23(36)21(34)19(32)15(6-29)41-27/h7,10,12-16,18-30,32-37H,3-6,8-9H2,1-2H3/t12-,13-,14+,15+,16+,18-,19-,20-,21-,22-,23+,24+,25+,26+,27-/m1/s1
SMILES [C@H]12[C@@H]([C@@H](OC=C1CO[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)OC(=O)CC(C)C)[C@@H]([C@H](C2)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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