input word = C00033261

Metabolite InformationStructural formula
Name Officinoside A
Formula C19H32O8
Mw 388.209718
CAS RN 228725-07-3
C_ID C00033261 ,
InChIKey PIVPPCDKFVJHEG-SCFCKGGRNA-N
InChICode InChI=1S/C19H32O8/c1-9(21)11-5-13-18(2,3)6-10(7-19(13,4)27-11)25-17-16(24)15(23)14(22)12(8-20)26-17/h5,9-12,14-17,20-24H,6-8H2,1-4H3/t9-,10+,11+,12-,14-,15+,16-,17-,19-/m1/s1
SMILES C[C@@H](O)[C@@H]1C=C2C(C)(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]2(C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
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OrganismCalendula officinalis
ReferenceYoshikawa,Chem.Pharm.Bull.,49,(2001),863