PCIDB

KNApSAcK Metabolite C00009309

Metabolite

KNApSAcK Entry

id C00009309
Name Aesculitannin G
CAS RN 114586-50-4
Standard InChI InChI=1S/C60H46O24/c61-23-13-34(71)42-39(14-23)81-59(21-3-7-27(64)32(69)11-21)57(77)49(42)47-41(82-59)18-37(74)43-48(51(76)53(80-55(43)47)20-2-6-26(63)31(68)10-20)44-35(72)16-36(73)45-50-46-40(83-60(58(50)78,84-56(44)45)22-4-8-28(65)33(70)12-22)17-29(66)24-15-38(75)52(79-54(24)46)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-53,57-58,61-78H,15H2/t38-,48-,49-,50-,51-,52-,53-,57-,58-,59+,60-/m1/s1
Standard InChI (Main Layer) InChI=1S/C60H46O24/c61-23-13-34(71)42-39(14-23)81-59(21-3-7-27(64)32(69)11-21)57(77)49(42)47-41(82-59)18-37(74)43-48(51(76)53(80-55(43)47)20-2-6-26(63)31(68)10-20)44-35(72)16-36(73)45-50-46-40(83-60(58(50)78,84-56(44)45)22-4-8-28(65)33(70)12-22)17-29(66)24-15-38(75)52(79-54(24)46)19-1-5-25(62)30(67)9-19/h1-14,16-18,38,48-53,57-58,61-78H,15H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 113

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
Hippocastanaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aesculus hippocastanum 43364 Hippocastanaceae rosids Viridiplantae