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 CC(C)CC(=O)O[C@@H]1OC=C(CO[C@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)[C@@H](O)C(O)[C@@H]2O)[C@H]2[C@@H]3O[C@@H]3[C@@](O)(CO)[C@@H]12
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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OrganismValeriana officinalis
ReferenceEndo,Chem.Pharm.Bull.,25,(1977),2140