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 c1(cc(c(cc1)O)O)/C=C/C(=O)OCc1cc(c(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos axillaris Ref.
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