PCIDB

KNApSAcK Metabolite C00039055

Metabolite

KNApSAcK Entry

id C00039055
Name Durantanin I / (-)-Durantanin I
CAS RN 243668-19-1
Standard InChI InChI=1S/C58H94O27/c1-23-33(64)36(67)39(70)46(79-23)77-21-57(75)22-78-50(44(57)73)82-42-24(2)80-47(41(72)38(42)69)83-43-34(65)28(62)19-76-49(43)85-51(74)58-14-13-52(3,4)15-26(58)25-9-10-31-53(5)16-27(61)45(84-48-40(71)37(68)35(66)29(18-59)81-48)54(6,20-60)30(53)11-12-55(31,7)56(25,8)17-32(58)63/h9,23-24,26-50,59-73,75H,10-22H2,1-8H3/t23-,24-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39+,40+,41+,42-,43+,44-,45-,46+,47?,48-,49+,50-,53-,54-,55+,56+,57+,58+/m0/s1
Standard InChI (Main Layer) InChI=1S/C58H94O27/c1-23-33(64)36(67)39(70)46(79-23)77-21-57(75)22-78-50(44(57)73)82-42-24(2)80-47(41(72)38(42)69)83-43-34(65)28(62)19-76-49(43)85-51(74)58-14-13-52(3,4)15-26(58)25-9-10-31-53(5)16-27(61)45(84-48-40(71)37(68)35(66)29(18-59)81-48)54(6,20-60)30(53)11-12-55(31,7)56(25,8)17-32(58)63/h9,23-24,26-50,59-73,75H,10-22H2,1-8H3

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
asterids 1

Family

family name count
Verbenaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Duranta repens 167917 Verbenaceae asterids Viridiplantae