PCIDB

KNApSAcK Metabolite C00039056

Metabolite

KNApSAcK Entry

id C00039056
Name Durantanin II / (-)-Durantanin II
CAS RN 244004-93-1
Standard InChI InChI=1S/C63H102O31/c1-24-35(71)38(74)40(76)51(86-24)90-45-30(69)20-83-50(42(45)78)89-44-25(2)87-53(43(79)46(44)91-55-48(80)62(82,22-66)23-85-55)92-47-36(72)29(68)19-84-54(47)94-56(81)63-14-13-57(3,4)15-27(63)26-9-10-33-58(5)16-28(67)49(93-52-41(77)39(75)37(73)31(18-64)88-52)59(6,21-65)32(58)11-12-60(33,7)61(26,8)17-34(63)70/h9,24-25,27-55,64-80,82H,10-23H2,1-8H3/t24-,25-,27-,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-,58-,59-,60+,61+,62+,63+/m0/s1
Standard InChI (Main Layer) InChI=1S/C63H102O31/c1-24-35(71)38(74)40(76)51(86-24)90-45-30(69)20-83-50(42(45)78)89-44-25(2)87-53(43(79)46(44)91-55-48(80)62(82,22-66)23-85-55)92-47-36(72)29(68)19-84-54(47)94-56(81)63-14-13-57(3,4)15-27(63)26-9-10-33-58(5)16-28(67)49(93-52-41(77)39(75)37(73)31(18-64)88-52)59(6,21-65)32(58)11-12-60(33,7)61(26,8)17-34(63)70/h9,24-25,27-55,64-80,82H,10-23H2,1-8H3

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