PCIDB

KNApSAcK Metabolite C00045281

Metabolite

KNApSAcK Entry

id C00045281
Name Dalmaisiose I / (-)-Dalmaisiose I
CAS RN 418811-23-1
Standard InChI InChI=1S/C67H78O34/c1-31-48(76)52(80)55(83)63(91-31)92-39-21-13-35(25-40(39)87-3)16-24-47(75)96-58-44(29-88-32(2)70)95-66(101-67(30-90-46(74)23-15-34-11-19-38(72)20-12-34)61(51(79)42(27-69)100-67)99-62(86)36-7-5-4-6-8-36)60(98-64-56(84)53(81)49(77)41(26-68)93-64)59(58)97-65-57(85)54(82)50(78)43(94-65)28-89-45(73)22-14-33-9-17-37(71)18-10-33/h4-25,31,41-44,48-61,63-66,68-69,71-72,76-85H,26-30H2,1-3H3/b22-14+,23-15+,24-16+/t31-,41+,42+,43+,44+,48-,49+,50+,51?,52+,53-,54-,55+,56+,57+,58+,59-,60+,61-,63-,64-,65-,66+,67-/m0/s1
Standard InChI (Main Layer) InChI=1S/C67H78O34/c1-31-48(76)52(80)55(83)63(91-31)92-39-21-13-35(25-40(39)87-3)16-24-47(75)96-58-44(29-88-32(2)70)95-66(101-67(30-90-46(74)23-15-34-11-19-38(72)20-12-34)61(51(79)42(27-69)100-67)99-62(86)36-7-5-4-6-8-36)60(98-64-56(84)53(81)49(77)41(26-68)93-64)59(58)97-65-57(85)54(82)50(78)43(94-65)28-89-45(73)22-14-33-9-17-37(71)18-10-33/h4-25,31,41-44,48-61,63-66,68-69,71-72,76-85H,26-30H2,1-3H3

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 dalmaisiana 4275 Polygalaceae rosids Viridiplantae