PCIDB

KNApSAcK Metabolite C00029706

Metabolite

KNApSAcK Entry

id C00029706
Name Aquilegioside B
CAS RN 235777-22-7
Standard InChI InChI=1S/C41H64O14/c1-19-6-7-23(52-34(19)50)20(2)28-21(44)14-39(5)26-9-8-25-37(3,18-43)27(10-11-40(25)17-41(26,40)13-12-38(28,39)4)54-36-33(29(46)22(45)16-51-36)55-35-32(49)31(48)30(47)24(15-42)53-35/h6,20-33,35-36,42-49H,7-18H2,1-5H3/t20-,21-,22+,23+,24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,35+,36+,37+,38-,39+,40-,41+/m1/s1
Standard InChI (Main Layer) InChI=1S/C41H64O14/c1-19-6-7-23(52-34(19)50)20(2)28-21(44)14-39(5)26-9-8-25-37(3,18-43)27(10-11-40(25)17-41(26,40)13-12-38(28,39)4)54-36-33(29(46)22(45)16-51-36)55-35-32(49)31(48)30(47)24(15-42)53-35/h6,20-33,35-36,42-49H,7-18H2,1-5H3

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

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CTD

By CAS RN