PCIDB

KNApSAcK Metabolite C00037605

Metabolite

KNApSAcK Entry

id C00037605
Name Pelargoniin A
CAS RN 302780-07-0
Standard InChI InChI=1S/C40H30O26/c41-12-1-8(2-13(42)23(12)47)34(55)66-38-33-32-31(65-39(59)40(60)6-17(46)24(48)22(40)21-11(37(58)64-33)5-16(45)27(51)30(21)54)18(62-38)7-61-35(56)9-3-14(43)25(49)28(52)19(9)20-10(36(57)63-32)4-15(44)26(50)29(20)53/h1-5,17-18,22,31-33,38,41-47,49-54,60H,6-7H2
Standard InChI (Main Layer) InChI=1S/C40H30O26/c41-12-1-8(2-13(42)23(12)47)34(55)66-38-33-32-31(65-39(59)40(60)6-17(46)24(48)22(40)21-11(37(58)64-33)5-16(45)27(51)30(21)54)18(62-38)7-61-35(56)9-3-14(43)25(49)28(52)19(9)20-10(36(57)63-32)4-15(44)26(50)29(20)53/h1-5,17-18,22,31-33,38,41-47,49-54,60H,6-7H2

Cluster

Phytochemical cluster No. 81
KCF-S cluster No. 226

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
Geraniaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pelargonium reniforme 59871 Geraniaceae rosids Viridiplantae