PCIDB

KNApSAcK Metabolite C00044997

Metabolite

KNApSAcK Entry

id C00044997
Name Paeonianin C
CAS RN 558460-58-5
Standard InChI InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(64(119-67(105)16-3-25(78)46(90)26(79)4-16)65(121-68(106)17-5-27(80)47(91)28(81)6-17)75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)117-72(110)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)73(111)120-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-20(71(109)116-60)10-32(85)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,13-14H2
Standard InChI (Main Layer) InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(64(119-67(105)16-3-25(78)46(90)26(79)4-16)65(121-68(106)17-5-27(80)47(91)28(81)6-17)75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)117-72(110)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)73(111)120-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-20(71(109)116-60)10-32(85)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,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

Species

Summary

Plant class

class name count
eudicotyledons 1

Family

family name count
Paeoniaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Paeonia lactiflora 35924 Paeoniaceae eudicotyledons Viridiplantae