PCIDB

KNApSAcK Metabolite C00048509

Metabolite

KNApSAcK Entry

id C00048509
Name Physenoside S4 / (+)-Physenoside S4
CAS RN 1191300-12-5
Standard InChI InChI=1S/C69H112O35/c1-25-37(76)42(81)48(87)59(95-25)101-53-50(89)61(96-26(2)51(53)99-57-45(84)38(77)30(73)20-91-57)102-54-52(100-58-46(85)39(78)31(74)21-92-58)32(75)22-93-62(54)104-63(90)69-15-13-64(3,4)17-28(69)27-9-10-36-65(5)18-29(72)55(66(6,24-71)35(65)11-12-68(36,8)67(27,7)14-16-69)103-60-49(88)44(83)41(80)34(98-60)23-94-56-47(86)43(82)40(79)33(19-70)97-56/h9,25-26,28-62,70-89H,10-24H2,1-8H3/t25-,26-,28-,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51-,52-,53-,54+,55-,56?,57-,58-,59-,60-,61-,62-,65-,66-,67+,68+,69-/m0/s1
Standard InChI (Main Layer) InChI=1S/C69H112O35/c1-25-37(76)42(81)48(87)59(95-25)101-53-50(89)61(96-26(2)51(53)99-57-45(84)38(77)30(73)20-91-57)102-54-52(100-58-46(85)39(78)31(74)21-92-58)32(75)22-93-62(54)104-63(90)69-15-13-64(3,4)17-28(69)27-9-10-36-65(5)18-29(72)55(66(6,24-71)35(65)11-12-68(36,8)67(27,7)14-16-69)103-60-49(88)44(83)41(80)34(98-60)23-94-56-47(86)43(82)40(79)33(19-70)97-56/h9,25-26,28-62,70-89H,10-24H2,1-8H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Physenaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Physena sessiliflora 63762 Physenaceae eudicotyledons Viridiplantae