input word = C00033684

Metabolite InformationStructural formula
Name Caffeoylcalleryanin
Formula C22H24O11
Mw 464.13186161
CAS RN 20300-49-6
C_ID C00033684 ,
InChIKey VTHLSAOVZTYBRV-DUWCSAGGNA-N
InChICode InChI=1S/C22H24O11/c23-9-17-19(28)20(29)21(30)22(33-17)32-16-5-2-12(8-15(16)26)10-31-18(27)6-3-11-1-4-13(24)14(25)7-11/h1-8,17,19-26,28-30H,9-10H2/b6-3+/t17-,19-,20+,21-,22-/m1/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos axillaris Ref.
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