Metabolite

KNApSAcK Entry

id C00038345
Name Acanthophylloside B
CAS RN 57606-20-9
Standard InChI InChI=1S/C86H136O48/c1-28-42(93)47(98)53(104)74(119-28)131-66-57(108)62(127-75-56(107)50(101)61(29(2)120-75)126-72-59(110)64(35(92)24-116-72)129-73-60(111)63(34(91)25-117-73)128-70-51(102)43(94)33(90)23-115-70)30(3)121-78(66)134-80(114)86-18-16-81(4,5)20-32(86)31-10-11-40-82(6)14-13-41(83(7,27-89)39(82)12-15-85(40,9)84(31,8)17-19-86)125-79-67(132-77-55(106)49(100)45(96)37(22-88)123-77)58(109)65(68(133-79)69(112)113)130-71-52(103)46(97)38(26-118-71)124-76-54(105)48(99)44(95)36(21-87)122-76/h10,27-30,32-68,70-79,87-88,90-111H,11-26H2,1-9H3,(H,112,113)
Standard InChI (Main Layer) InChI=1S/C86H136O48/c1-28-42(93)47(98)53(104)74(119-28)131-66-57(108)62(127-75-56(107)50(101)61(29(2)120-75)126-72-59(110)64(35(92)24-116-72)129-73-60(111)63(34(91)25-117-73)128-70-51(102)43(94)33(90)23-115-70)30(3)121-78(66)134-80(114)86-18-16-81(4,5)20-32(86)31-10-11-40-82(6)14-13-41(83(7,27-89)39(82)12-15-85(40,9)84(31,8)17-19-86)125-79-67(132-77-55(106)49(100)45(96)37(22-88)123-77)58(109)65(68(133-79)69(112)113)130-71-52(103)46(97)38(26-118-71)124-76-54(105)48(99)44(95)36(21-87)122-76/h10,27-30,32-68,70-79,87-88,90-111H,11-26H2,1-9H3,(H,112,113)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN