PCIDB

KNApSAcK Metabolite C00003512

Metabolite

KNApSAcK Entry

id C00003512
Name Cyclamin
CAS RN 23643-76-7
Standard InChI InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25?,26?,27?,28+,29+,30-,31-,32-,33+,34+,35?,36-,37?,38+,39+,40+,41?,42?,43?,44+,45?,46?,47+,48+,49+,50+,51+,53+,54+,55-,56+,57-,58+/m1/s1
Standard InChI (Main Layer) InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL373379 CHEMBL1984356

KEGG

By LinkDB C08938

CTD

By CAS RN