input word = C00054916

Metabolite InformationStructural formula
Name Capsicoside A3
Formula C33H52O8
Mw 576.36621864
CAS RN 14270-72-5
C_ID C00054916
InChIKey WXMARHKAXWRNDM-OOLDBQHSSA-N
InChICode InChI=1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5,17-18,20-30,34-37H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33-/m1/s1
SMILES O[C@@H]1[C@H](O)[C@H]([C@@H](O[C@@H]1CO)O[C@@H]2CC([C@@]3(CC2)C)=CC[C@]4([H])[C@]3([H])CC[C@]5([C@@]4([H])C[C@@]6([H])[C@]5([H])[C@@H]([C@@]7(O6)OC[C@@H](CC7)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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