PCIDB

KNApSAcK Metabolite C00009272

Metabolite

KNApSAcK Entry

id C00009272
Name Pavetannin C5
CAS RN 170752-92-8
Standard InChI InChI=1S/C60H46O22/c61-25-7-1-21(2-8-25)53-51(74)48(43-37(72)20-41-47(55(43)78-53)49-42-34(69)15-27(63)16-39(42)79-59(80-41,57(49)75)23-4-9-26(62)10-5-23)44-35(70)18-36(71)45-50-46-40(81-60(58(50)76,82-56(44)45)24-6-12-30(65)33(68)14-24)19-31(66)28-17-38(73)52(77-54(28)46)22-3-11-29(64)32(67)13-22/h1-16,18-20,38,48-53,57-58,61-76H,17H2/t38-,48+,49-,50+,51-,52-,53+,57-,58+,59+,60+/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H46O22/c61-25-7-1-21(2-8-25)53-51(74)48(43-37(72)20-41-47(55(43)78-53)49-42-34(69)15-27(63)16-39(42)79-59(80-41,57(49)75)23-4-9-26(62)10-5-23)44-35(70)18-36(71)45-50-46-40(81-60(58(50)76,82-56(44)45)24-6-12-30(65)33(68)14-24)19-31(66)28-17-38(73)52(77-54(28)46)22-3-11-29(64)32(67)13-22/h1-16,18-20,38,48-53,57-58,61-76H,17H2

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