PCIDB

KNApSAcK Metabolite C00009369

Metabolite

KNApSAcK Entry

id C00009369
Name Melabathrin F
CAS RN 147934-07-4
Standard InChI InChI=1S/C55H38O30/c56-18-2-1-12(3-19(18)57)44-26(64)6-14-27(80-44)10-20(58)32-34-47-48(84-53(77)17-9-25(63)39(68)42(71)31(17)33-35(54(78)83-47)55(34,85-45(14)32)49(73)43(33)72)46-28(81-50(74)13-4-21(59)36(65)22(60)5-13)11-79-51(75)15-7-23(61)37(66)40(69)29(15)30-16(52(76)82-46)8-24(62)38(67)41(30)70/h1-5,7-10,26,28,34-35,44,46-48,56-72H,6,11H2/t26-,28?,34-,35?,44-,46-,47?,48+,55?/m1/s1
Standard InChI (Main Layer) InChI=1S/C55H38O30/c56-18-2-1-12(3-19(18)57)44-26(64)6-14-27(80-44)10-20(58)32-34-47-48(84-53(77)17-9-25(63)39(68)42(71)31(17)33-35(54(78)83-47)55(34,85-45(14)32)49(73)43(33)72)46-28(81-50(74)13-4-21(59)36(65)22(60)5-13)11-79-51(75)15-7-23(61)37(66)40(69)29(15)30-16(52(76)82-46)8-24(62)38(67)41(30)70/h1-5,7-10,26,28,34-35,44,46-48,56-72H,6,11H2

Cluster

Phytochemical cluster
KCF-S cluster No. 142

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
Melastomataceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Melastoma malabathricum 128733 Melastomataceae rosids Viridiplantae