input word = C00040275

Metabolite InformationStructural formula
Name Seguinoside J
(-)-Seguinoside J
Formula C23H32O12
Mw 500.18937649
CAS RN 257888-16-7
C_ID C00040275 ,
InChIKey LFLLAUFDKMXSRX-CFCULXLANA-N
InChICode InChI=1S/C23H32O12/c1-2-3-4-5-16(26)31-11-23(30)12-32-22(20(23)29)35-19-18(28)17(27)15(10-24)34-21(19)33-14-8-6-13(25)7-9-14/h4-9,15,17-22,24-25,27-30H,2-3,10-12H2,1H3/b5-4+/t15-,17-,18+,19-,20+,21-,22+,23-/m1/s1
SMILES CCC/C=C/C(=O)OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(O)cc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeMyrsine seguinii Ref.
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