PCIDB

KNApSAcK Metabolite C00049083

Metabolite

KNApSAcK Entry

id C00049083
Name 3-Acetylcalcicolin A
CAS RN 132185-54-7
Standard InChI InChI=1S/C30H40O11/c1-13-19-10-20(37-14(2)31)24-29(9)22(39-16(4)33)11-21(38-15(3)32)28(7,8)25(29)23(40-17(5)34)27(41-18(6)35)30(24,12-19)26(13)36/h19-25,27H,1,10-12H2,2-9H3/t19-,20-,21-,22-,23+,24-,25+,27-,29-,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H40O11/c1-13-19-10-20(37-14(2)31)24-29(9)22(39-16(4)33)11-21(38-15(3)32)28(7,8)25(29)23(40-17(5)34)27(41-18(6)35)30(24,12-19)26(13)36/h19-25,27H,1,10-12H2,2-9H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 63

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
Lamiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Isodon gesneroides 662912 Lamiaceae asterids Viridiplantae