PCIDB

KNApSAcK Metabolite C00045287

Metabolite

KNApSAcK Entry

id C00045287
Name Dalmaisiose O / (-)-Dalmaisiose O
CAS RN 418811-90-2
Standard InChI InChI=1S/C69H82O36/c1-31-50(78)54(82)57(85)65(95-31)96-39-19-13-35(25-42(39)91-5)16-22-49(77)100-60-46(29-92-32(2)72)99-68(105-69(30-94-48(76)21-15-34-12-18-38(74)41(24-34)90-4)63(53(81)44(27-71)104-69)103-64(88)36-9-7-6-8-10-36)62(102-66-58(86)55(83)51(79)43(26-70)97-66)61(60)101-67-59(87)56(84)52(80)45(98-67)28-93-47(75)20-14-33-11-17-37(73)40(23-33)89-3/h6-25,31,43-46,50-63,65-68,70-71,73-74,78-87H,26-30H2,1-5H3/b20-14+,21-15+,22-16+/t31-,43+,44+,45+,46+,50-,51+,52+,53+,54+,55-,56-,57+,58+,59+,60+,61?,62+,63-,65-,66-,67-,68+,69-/m0/s1
Standard InChI (Main Layer) InChI=1S/C69H82O36/c1-31-50(78)54(82)57(85)65(95-31)96-39-19-13-35(25-42(39)91-5)16-22-49(77)100-60-46(29-92-32(2)72)99-68(105-69(30-94-48(76)21-15-34-12-18-38(74)41(24-34)90-4)63(53(81)44(27-71)104-69)103-64(88)36-9-7-6-8-10-36)62(102-66-58(86)55(83)51(79)43(26-70)97-66)61(60)101-67-59(87)56(84)52(80)45(98-67)28-93-47(75)20-14-33-11-17-37(73)40(23-33)89-3/h6-25,31,43-46,50-63,65-68,70-71,73-74,78-87H,26-30H2,1-5H3

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