Metabolite

KNApSAcK Entry

id C00035254
Name Brediatin B
CAS RN 160490-93-7
Standard InChI InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)102-12-33-55(52(92)53(93)67(105-33)111-60(95)15-3-24(71)40(80)25(72)4-15)107-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-17(7-28(75)44(84)49(37)89)63(98)108-56-34(13-103-62(20)97)106-68(112-61(96)16-5-26(73)41(81)27(74)6-16)58-57(56)109-64(99)18-8-29(76)42(82)47(87)35(18)36-19(65(100)110-58)9-30(77)43(83)48(36)88/h1-11,33-34,52-53,55-58,67-93H,12-13H2
Standard InChI (Main Layer) InChI=1S/C68H50O44/c69-22-1-14(2-23(70)39(22)79)59(94)102-12-33-55(52(92)53(93)67(105-33)111-60(95)15-3-24(71)40(80)25(72)4-15)107-66(101)21-10-31(78)45(85)51(91)54(21)104-32-11-20-38(50(90)46(32)86)37-17(7-28(75)44(84)49(37)89)63(98)108-56-34(13-103-62(20)97)106-68(112-61(96)16-5-26(73)41(81)27(74)6-16)58-57(56)109-64(99)18-8-29(76)42(82)47(87)35(18)36-19(65(100)110-58)9-30(77)43(83)48(36)88/h1-11,33-34,52-53,55-58,67-93H,12-13H2

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 126

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN