input word = C00057174

Metabolite InformationStructural formula
Name Sasanquin
Formula C21H30O11
Mw 458.1788118
CAS RN 18604-54-1
C_ID C00057174
InChIKey FSCNUJMKSQHQSY-ABABQVIMSA-N
InChICode InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14+,15+,16+,17-,18-,19+,20?,21+/m0/s1
SMILES C=CCc1ccc(O[C@@H]2O[C@H](COC3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia japonica Ref.
PlantaeTheaceaeCamellia sasanqua Ref.
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OrganismCamellia japonica
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1091A (ir)