PCIDB

KNApSAcK Metabolite C00009310

Metabolite

KNApSAcK Entry

id C00009310
Name Pavetannin D 1
CAS RN 88057-90-3
Standard InChI InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-61(65(98)69(103-72(55)58)26-4-9-33(80)39(86)14-26)54-44(91)20-43(90)53-60(64(97)68(102-71(53)54)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2/t48-,59-,60+,61+,62-,63-,64-,65-,66-,67-,68-,69-,74-,75-/m1/s1
Standard InChI (Main Layer) InChI=1S/C75H60O30/c76-28-16-41(88)51-49(17-28)100-67(24-2-7-31(78)37(84)12-24)63(96)59(51)56-45(92)21-46(93)57-62-58-50(104-75(74(62)99,105-73(56)57)27-5-10-34(81)40(87)15-27)22-47(94)55-61(65(98)69(103-72(55)58)26-4-9-33(80)39(86)14-26)54-44(91)20-43(90)53-60(64(97)68(102-71(53)54)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-48(95)66(101-70(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,48,59-69,74,76-99H,18H2

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