input word = C00055402

Metabolite InformationStructural formula
Name Capsicoside C
Formula C52H88O25
Mw 1112.56146836
CAS RN 160219-66-9
C_ID C00055402
InChIKey CKNKYVMVZPUAOQ-UHFFFAOYSA-N
InChICode InChI=1S/C52H88O25/c1-20(19-69-46-41(65)37(61)34(58)29(15-53)71-46)8-11-52(68-5)21(2)33-28(77-52)13-25-23-7-6-22-12-27(26(57)14-51(22,4)24(23)9-10-50(25,33)3)70-47-43(67)40(64)44(32(18-56)74-47)75-49-45(39(63)36(60)31(17-55)73-49)76-48-42(66)38(62)35(59)30(16-54)72-48/h20-49,53-67H,6-19H2,1-5H3
SMILES OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(OC4CC(CCC5C6CCC7(C)C5CC8C7C(C)C(CCC(C)COC9OC(CO)C(O)C(O)C9O)(OC)O8)C6(C)CC4O)OC3CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum var. conides Ref.
PlantaeSolanaceaeCapsicum annuum var. fasciculatum Ref.
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