PCIDB

KNApSAcK Metabolite C00009271

Metabolite

KNApSAcK Entry

id C00009271
Name Pavetannin C4
CAS RN 170752-91-7
Standard InChI InChI=1S/C60H48O23/c61-24-6-4-23(5-7-24)60-59(78)50(42-34(70)14-25(62)15-40(42)82-60)47-41(83-60)19-38(74)46-49(52(77)55(81-58(46)47)22-3-10-29(65)33(69)13-22)45-37(73)18-36(72)44-48(51(76)54(80-57(44)45)21-2-9-28(64)32(68)12-21)43-35(71)17-30(66)26-16-39(75)53(79-56(26)43)20-1-8-27(63)31(67)11-20/h1-15,17-19,39,48-55,59,61-78H,16H2/t39-,48+,49+,50-,51-,52-,53-,54-,55-,59-,60+/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H48O23/c61-24-6-4-23(5-7-24)60-59(78)50(42-34(70)14-25(62)15-40(42)82-60)47-41(83-60)19-38(74)46-49(52(77)55(81-58(46)47)22-3-10-29(65)33(69)13-22)45-37(73)18-36(72)44-48(51(76)54(80-57(44)45)21-2-9-28(64)32(68)12-21)43-35(71)17-30(66)26-16-39(75)53(79-56(26)43)20-1-8-27(63)31(67)11-20/h1-15,17-19,39,48-55,59,61-78H,16H2

Cluster

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

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pavetta owariensis 58461 Rubiaceae asterids Viridiplantae