PCIDB

KNApSAcK Metabolite C00046635

Metabolite

KNApSAcK Entry

id C00046635
Name Calcigeroside B / (-)-Calcigeroside B
CAS RN 253678-32-9
Standard InChI InChI=1S/C54H84O27S/c1-20(2)31-26-16-53(8)24-10-11-29-51(5,6)30(13-14-52(29,7)23(24)12-15-54(31,53)50(65)75-26)76-48-43(34(59)28(19-71-48)81-82(66,67)68)80-49-44(79-46-36(61)35(60)32(57)21(3)72-46)37(62)40(22(4)73-49)77-47-39(64)42(33(58)27(17-55)74-47)78-45-38(63)41(69-9)25(56)18-70-45/h10,21-23,25-49,55-64H,1,11-19H2,2-9H3,(H,66,67,68)/t21-,22-,23-,25-,26?,27-,28-,29+,30?,31?,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,52-,53+,54-/m1/s1
Standard InChI (Main Layer) InChI=1S/C54H84O27S/c1-20(2)31-26-16-53(8)24-10-11-29-51(5,6)30(13-14-52(29,7)23(24)12-15-54(31,53)50(65)75-26)76-48-43(34(59)28(19-71-48)81-82(66,67)68)80-49-44(79-46-36(61)35(60)32(57)21(3)72-46)37(62)40(22(4)73-49)77-47-39(64)42(33(58)27(17-55)74-47)78-45-38(63)41(69-9)25(56)18-70-45/h10,21-23,25-49,55-64H,1,11-19H2,2-9H3,(H,66,67,68)

Cluster

Phytochemical cluster
KCF-S cluster No. 72

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Phyllophoridae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Pentamera calcigera 861476 Phyllophoridae Metazoa