input word = C00036884

Metabolite InformationStructural formula
Name Cascaroside B
(-)-Cascaroside B
Formula C27H32O14
Mw 580.17920573
CAS RN 53861-34-0
C_ID C00036884 ,
InChIKey MNAYRSRTNMVAPR-XEAFSFJLNA-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 c12c(C(=O)c3c([C@H]1[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)CO)O)O)O)cccc3O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)c(cc(c2)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus purshiana Ref.
PlantaeRhamnaceaeRhamnus purshianus bark Ref.
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