PCIDB

KNApSAcK Metabolite C00040572

Metabolite

KNApSAcK Entry

id C00040572
Name Tuberoside C(Allium) / (-)-Tuberoside C(Allium)
CAS RN 259810-68-9
Standard InChI InChI=1S/C51H84O23/c1-19(18-66-46-40(62)38(60)35(57)30(15-52)70-46)6-9-27-20(2)33-29(68-27)13-25-23-8-7-22-12-28(26(55)14-51(22,5)24(23)10-11-50(25,33)4)69-49-45(74-47-41(63)37(59)34(56)21(3)67-47)43(65)44(32(17-54)72-49)73-48-42(64)39(61)36(58)31(16-53)71-48/h19,21-26,28-49,52-65H,6-18H2,1-5H3/t19-,21-,22-,23+,24-,25-,26+,28+,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-,51-/m0/s1
Standard InChI (Main Layer) InChI=1S/C51H84O23/c1-19(18-66-46-40(62)38(60)35(57)30(15-52)70-46)6-9-27-20(2)33-29(68-27)13-25-23-8-7-22-12-28(26(55)14-51(22,5)24(23)10-11-50(25,33)4)69-49-45(74-47-41(63)37(59)34(56)21(3)67-47)43(65)44(32(17-54)72-49)73-48-42(64)39(61)36(58)31(16-53)71-48/h19,21-26,28-49,52-65H,6-18H2,1-5H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 21

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN