input word = C00002799

Metabolite InformationStructural formula
Name Cascaroside A
Formula C27H32O14
Mw 580.17920573
CAS RN 53823-08-8
C_ID C00002799 ,
InChIKey MNAYRSRTNMVAPR-HTHVAXBJNA-N
InChICode InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
SMILES O=C1c2c(O)cc(CO)cc2[C@@H]([C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2cccc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus purshiana Ref.
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OrganismRhamnus purshiana
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter43