PCIDB

KNApSAcK Metabolite C00048589

Metabolite

KNApSAcK Entry

id C00048589
Name 25-Hydroxyfuscocineroside B
CAS RN 1082071-34-8
Standard InChI InChI=1S/C54H86O27S/c1-22-40(77-46-39(65)42(34(60)26(20-56)75-46)78-45-38(64)41(71-9)33(59)25(19-55)74-45)36(62)37(63)44(73-22)79-43-35(61)27(81-82(68,69)70)21-72-47(43)76-32-14-16-51(6)24-18-31(58)54-29(53(8,80-48(54)66)30(57)13-15-49(2,3)67)12-17-52(54,7)23(24)10-11-28(51)50(32,4)5/h18,22-23,25-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70)/t22-,23-,25-,26-,27?,28+,29-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,51-,52+,53-,54+/m1/s1
Standard InChI (Main Layer) InChI=1S/C54H86O27S/c1-22-40(77-46-39(65)42(34(60)26(20-56)75-46)78-45-38(64)41(71-9)33(59)25(19-55)74-45)36(62)37(63)44(73-22)79-43-35(61)27(81-82(68,69)70)21-72-47(43)76-32-14-16-51(6)24-18-31(58)54-29(53(8,80-48(54)66)30(57)13-15-49(2,3)67)12-17-52(54,7)23(24)10-11-28(51)50(32,4)5/h18,22-23,25-29,31-47,55-56,58-65,67H,10-17,19-21H2,1-9H3,(H,68,69,70)

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
Holothuriidae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bohadschia marmorata 206678 Holothuriidae Metazoa