PCIDB

KNApSAcK Metabolite C00035286

Metabolite

KNApSAcK Entry

id C00035286
Name Cyclocanthoside E
CAS RN 170969-74-1
Standard InChI InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-20(43)15-39(7)24-14-22(53-35-32(50)30(48)29(47)23(16-42)54-35)33-36(2,3)26(55-34-31(49)28(46)21(44)17-52-34)10-11-41(33)18-40(24,41)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,38-,39+,40+,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-20(43)15-39(7)24-14-22(53-35-32(50)30(48)29(47)23(16-42)54-35)33-36(2,3)26(55-34-31(49)28(46)21(44)17-52-34)10-11-41(33)18-40(24,41)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 32

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

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