PCIDB

KNApSAcK Metabolite C00047678

Metabolite

KNApSAcK Entry

id C00047678
Name 5-OHKF
CAS RN 1198473-27-6
Standard InChI InChI=1S/C75H124N14O17/c1-20-43(14)58(70(100)88-61-46(17)106-74(104)57(42(12)13)84-62(92)48(22-3)77-64(94)50(37-47-29-24-23-25-30-47)79-66(96)54(39(6)7)81-69(99)59(44(15)21-2)86-72(61)102)85-63(93)49(31-27-35-76)78-65(95)51-32-28-36-89(51)73(103)56(41(10)11)83-68(98)55(40(8)9)82-71(101)60(45(16)90)87-67(97)53(38(4)5)80-52(91)33-26-34-75(18,19)105/h22-25,29-30,38-46,49-51,53-61,90,105H,20-21,26-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b48-22-/t43-,44-,45+,46+,49-,50-,51+,53+,54+,55-,56+,57-,58+,59?,60-,61+/m0/s1
Standard InChI (Main Layer) InChI=1S/C75H124N14O17/c1-20-43(14)58(70(100)88-61-46(17)106-74(104)57(42(12)13)84-62(92)48(22-3)77-64(94)50(37-47-29-24-23-25-30-47)79-66(96)54(39(6)7)81-69(99)59(44(15)21-2)86-72(61)102)85-63(93)49(31-27-35-76)78-65(95)51-32-28-36-89(51)73(103)56(41(10)11)83-68(98)55(40(8)9)82-71(101)60(45(16)90)87-67(97)53(38(4)5)80-52(91)33-26-34-75(18,19)105/h22-25,29-30,38-46,49-51,53-61,90,105H,20-21,26-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)

Cluster

Phytochemical cluster
KCF-S cluster No. 1737

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2304285

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Byropsis pennata