PCIDB

KNApSAcK Metabolite C00009367

Metabolite

KNApSAcK Entry

id C00009367
Name Melabathrin A
CAS RN 147899-40-9
Standard InChI InChI=1S/C63H44O35/c64-21-2-1-14(3-22(21)65)54-32(94-58(86)15-4-24(67)43(75)25(68)5-15)11-17-31(93-54)12-23(66)37(42(17)74)40-39-41-38(51(83)53(85)52(39)84)36-20(10-30(73)47(79)50(36)82)62(90)98-57(56(40)97-63(41)91)55-33(95-59(87)16-6-26(69)44(76)27(70)7-16)13-92-60(88)18-8-28(71)45(77)48(80)34(18)35-19(61(89)96-55)9-29(72)46(78)49(35)81/h1-10,12,32-33,40,54-57,64-85H,11,13H2/t32-,33?,40+,54-,55-,56?,57+/m1/s1
Standard InChI (Main Layer) InChI=1S/C63H44O35/c64-21-2-1-14(3-22(21)65)54-32(94-58(86)15-4-24(67)43(75)25(68)5-15)11-17-31(93-54)12-23(66)37(42(17)74)40-39-41-38(51(83)53(85)52(39)84)36-20(10-30(73)47(79)50(36)82)62(90)98-57(56(40)97-63(41)91)55-33(95-59(87)16-6-26(69)44(76)27(70)7-16)13-92-60(88)18-8-28(71)45(77)48(80)34(18)35-19(61(89)96-55)9-29(72)46(78)49(35)81/h1-10,12,32-33,40,54-57,64-85H,11,13H2

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