PCIDB

KNApSAcK Metabolite C00046638

Metabolite

KNApSAcK Entry

id C00046638
Name Calcigeroside D1
CAS RN 298693-51-3
Standard InChI InChI=1S/C54H84O31S2/c1-20(2)31-25-15-53(7)23-9-10-29-51(4,5)30(12-13-52(29,6)22(23)11-14-54(31,53)50(65)79-25)80-48-43(34(59)28(18-74-48)85-87(69,70)71)84-49-44(83-46-36(61)35(60)32(57)26(16-55)77-46)37(62)40(21(3)76-49)81-47-39(64)42(33(58)27(78-47)19-75-86(66,67)68)82-45-38(63)41(72-8)24(56)17-73-45/h9,21-22,24-49,55-64H,1,10-19H2,2-8H3,(H,66,67,68)(H,69,70,71)/t21-,22-,24-,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/C54H84O31S2/c1-20(2)31-25-15-53(7)23-9-10-29-51(4,5)30(12-13-52(29,6)22(23)11-14-54(31,53)50(65)79-25)80-48-43(34(59)28(18-74-48)85-87(69,70)71)84-49-44(83-46-36(61)35(60)32(57)26(16-55)77-46)37(62)40(21(3)76-49)81-47-39(64)42(33(58)27(78-47)19-75-86(66,67)68)82-45-38(63)41(72-8)24(56)17-73-45/h9,21-22,24-49,55-64H,1,10-19H2,2-8H3,(H,66,67,68)(H,69,70,71)

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