input word = C00010587

Metabolite InformationStructural formula
Name Kanokoside C
Formula C27H42O17
Mw 638.24219992
CAS RN 64703-87-3
C_ID C00010587 ,
InChIKey ZTHFWSGQXKJHJD-KUIJDHIYNA-N
InChICode InChI=1S/C27H42O17/c1-9(2)3-13(30)43-24-15-14(22-23(44-22)27(15,37)8-29)10(5-38-24)6-39-25-21(36)19(34)17(32)12(42-25)7-40-26-20(35)18(33)16(31)11(4-28)41-26/h5,9,11-12,14-26,28-29,31-37H,3-4,6-8H2,1-2H3/t11-,12+,14-,15-,16-,17-,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@]([C@@H]1[C@H]2O1)(O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeCentranthus longiflorus ssp.longiflorus Ref.
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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