PCIDB

KNApSAcK Metabolite C00034162

Metabolite

KNApSAcK Entry

id C00034162
Name Polygalajaponicose I / (-)-Polygalajaponicose I
CAS RN 1033593-09-7
Standard InChI InChI=1S/C75H90O40/c1-33-52(86)56(90)59(93)70(102-33)104-41-20-12-37(13-21-41)16-25-51(85)109-64-46(29-78)106-74(115-75(32-101-50(84)23-15-36-10-18-40(81)19-11-36)68(55(89)44(27-76)114-75)113-69(97)39-8-6-5-7-9-39)67(112-72-61(95)58(92)54(88)48(108-72)31-100-49(83)24-17-38-14-22-42(82)43(26-38)98-4)66(64)111-73-62(96)65(63(103-35(3)80)45(28-77)105-73)110-71-60(94)57(91)53(87)47(107-71)30-99-34(2)79/h5-26,33,44-48,52-68,70-74,76-78,81-82,86-96H,27-32H2,1-4H3/b23-15+,24-17+,25-16+/t33-,44+,45+,46+,47+,48+,52-,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,70-,71-,72-,73-,74+,75-/m0/s1
Standard InChI (Main Layer) InChI=1S/C75H90O40/c1-33-52(86)56(90)59(93)70(102-33)104-41-20-12-37(13-21-41)16-25-51(85)109-64-46(29-78)106-74(115-75(32-101-50(84)23-15-36-10-18-40(81)19-11-36)68(55(89)44(27-76)114-75)113-69(97)39-8-6-5-7-9-39)67(112-72-61(95)58(92)54(88)48(108-72)31-100-49(83)24-17-38-14-22-42(82)43(26-38)98-4)66(64)111-73-62(96)65(63(103-35(3)80)45(28-77)105-73)110-71-60(94)57(91)53(87)47(107-71)30-99-34(2)79/h5-26,33,44-48,52-68,70-74,76-78,81-82,86-96H,27-32H2,1-4H3

Cluster

Phytochemical cluster
KCF-S cluster No. 181

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Polygalaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Polygala japonica 690795 Polygalaceae rosids Viridiplantae