PCIDB

KNApSAcK Metabolite C00009306

Metabolite

KNApSAcK Entry

id C00009306
Name Pavetannin C 1
CAS RN 88038-15-7
Standard InChI InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49+,50-,52-,53-,54-,55-,56-,59-,60+/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H48O24/c61-23-13-34(71)42-39(14-23)80-55(20-2-6-26(63)31(68)10-20)52(77)48(42)43-36(73)17-40-46(51(43)76)50-47-41(84-60(83-40,59(50)79)22-4-8-28(65)33(70)12-22)18-37(74)45-49(53(78)56(82-58(45)47)21-3-7-27(64)32(69)11-21)44-35(72)16-29(66)24-15-38(75)54(81-57(24)44)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 113

Link

ChEMBL

By standard InChI CHEMBL1213877
By standard InChI Main Layer CHEMBL1213877

KEGG

By LinkDB

CTD

By CAS RN