PCIDB

KNApSAcK Metabolite C00022213

Metabolite

KNApSAcK Entry

id C00022213
Name Corymbivillosol acetate
CAS RN 113476-74-7
Standard InChI InChI=1S/C45H70O7/c1-29(22-26-46)12-16-34-31(3)15-19-37-43(8,9)39(21-25-45(34,37)11)52-41(49)28-40(48)50-27-23-30(2)13-17-35-32(4)14-18-36-42(6,7)38(51-33(5)47)20-24-44(35,36)10/h14-15,22-23,34-39,46H,12-13,16-21,24-28H2,1-11H3/b29-22+,30-23+/t34-,35-,36-,37-,38+,39+,44+,45+/m1/s1
Standard InChI (Main Layer) InChI=1S/C45H70O7/c1-29(22-26-46)12-16-34-31(3)15-19-37-43(8,9)39(21-25-45(34,37)11)52-41(49)28-40(48)50-27-23-30(2)13-17-35-32(4)14-18-36-42(6,7)38(51-33(5)47)20-24-44(35,36)10/h14-15,22-23,34-39,46H,12-13,16-21,24-28H2,1-11H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5605

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
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Corymbium villosum 320625 Asteraceae asterids Viridiplantae