PCIDB

KNApSAcK Metabolite C00033708

Metabolite

KNApSAcK Entry

id C00033708
Name Cauloside B / (+)-Cauloside B
CAS RN 12672-43-4
Standard InChI InChI=1S/C35H56O9/c1-30(2)13-14-35(29(41)42)20(15-30)19-7-8-23-31(3)11-10-25(44-28-27(40)26(39)21(37)17-43-28)32(4,18-36)22(31)9-12-33(23,5)34(19,6)16-24(35)38/h7,20-28,36-40H,8-18H2,1-6H3,(H,41,42)/t20-,21-,22+,23+,24+,25-,26-,27+,28-,31-,32-,33+,34+,35+/m0/s1
Standard InChI (Main Layer) InChI=1S/C35H56O9/c1-30(2)13-14-35(29(41)42)20(15-30)19-7-8-23-31(3)11-10-25(44-28-27(40)26(39)21(37)17-43-28)32(4,18-36)22(31)9-12-33(23,5)34(19,6)16-24(35)38/h7,20-28,36-40H,8-18H2,1-6H3,(H,41,42)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 50

Link

ChEMBL

By standard InChI CHEMBL555897
By standard InChI Main Layer CHEMBL555897

KEGG

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CTD

By CAS RN