input word = C00053949

Metabolite InformationStructural formula
Name Capsicoside A2
Formula C33H54O8
Mw 578.3818687
CAS RN 35959-24-1
C_ID C00053949
InChIKey ZNEIIZNXGCIAAL-VZGGSASBSA-N
InChICode InChI=1S/C33H54O8/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/h17-30,34-37H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,33-/m1/s1
SMILES C[C@@]12[C@@]([H])(C[C@@]3([H])[C@]2([H])[C@H](C)[C@]4(OC[C@H](C)CC4)O3)[C@]([C@]5([H])CC1)([H])CC[C@@]([C@]5(C)CC6)([H])C[C@H]6O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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