PCIDB

KNApSAcK Metabolite C00035356

Metabolite

KNApSAcK Entry

id C00035356
Name Oenothein B
CAS RN 104987-36-2
Standard InChI InChI=1S/C68H48O44/c69-11-35-59(111-61(95)15-1-23(71)41(81)24(72)2-15)57-32(80)14-104-64(98)19-9-33(47(87)51(91)39(19)38-18(65(99)109-57)6-28(76)44(84)50(38)90)105-55-21(7-29(77)45(85)53(55)93)67(101)108-36(12-70)60(112-62(96)16-3-25(73)42(82)26(74)4-16)58-31(79)13-103-63(97)17-5-27(75)43(83)49(89)37(17)40-20(66(100)110-58)10-34(48(88)52(40)92)106-56-22(68(102)107-35)8-30(78)46(86)54(56)94/h1-12,31-32,35-36,57-60,71-94H,13-14H2
Standard InChI (Main Layer) InChI=1S/C68H48O44/c69-11-35-59(111-61(95)15-1-23(71)41(81)24(72)2-15)57-32(80)14-104-64(98)19-9-33(47(87)51(91)39(19)38-18(65(99)109-57)6-28(76)44(84)50(38)90)105-55-21(7-29(77)45(85)53(55)93)67(101)108-36(12-70)60(112-62(96)16-3-25(73)42(82)26(74)4-16)58-31(79)13-103-63(97)17-5-27(75)43(83)49(89)37(17)40-20(66(100)110-58)10-34(48(88)52(40)92)106-56-22(68(102)107-35)8-30(78)46(86)54(56)94/h1-12,31-32,35-36,57-60,71-94H,13-14H2

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 C080077