input word = C00054570

Metabolite InformationStructural formula
Name Cascaroside E
Formula C27H32O14
Mw 580.17920573
CAS RN 164178-32-9
C_ID C00054570
InChIKey VICGNLNFFZAFLT-UHFFFAOYSA-N
InChICode InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3
SMILES Cc1cc(O)c2c(c1)C(C1OC(CO)C(O)C(O)C1O)c1cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus purshiana Ref.
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OrganismRhamnus purshiana
ReferenceHay, J.E. et al., JCS, 1956, 3141-3147 (struct, bibl)