PCIDB

KNApSAcK Metabolite C00014810

Metabolite

KNApSAcK Entry

id C00014810
Name Preternatin C4
CAS RN 215378-83-9
Standard InChI InChI=1S/C48H56O29/c49-12-26-32(56)36(60)40(64)45(74-26)69-19-4-1-16(2-5-19)3-6-30(54)68-15-29-35(59)39(63)43(67)47(77-29)72-24-8-17(7-23(31(24)55)71-46-41(65)37(61)33(57)27(13-50)75-46)44-25(11-20-21(53)9-18(52)10-22(20)70-44)73-48-42(66)38(62)34(58)28(14-51)76-48/h1-11,26-29,32-43,45-51,56-67H,12-15H2,(H2-,52,53,55)/p+1/b6-3+/t26?,27?,28?,29?,32-,33-,34-,35-,36+,37+,38+,39+,40?,41?,42?,43?,45-,46-,47-,48-/m1/s1
Standard InChI (Main Layer) InChI=1S/C48H56O29/c49-12-26-32(56)36(60)40(64)45(74-26)69-19-4-1-16(2-5-19)3-6-30(54)68-15-29-35(59)39(63)43(67)47(77-29)72-24-8-17(7-23(31(24)55)71-46-41(65)37(61)33(57)27(13-50)75-46)44-25(11-20-21(53)9-18(52)10-22(20)70-44)73-48-42(66)38(62)34(58)28(14-51)76-48/h1-11,26-29,32-43,45-51,56-67H,12-15H2,(H2-,52,53,55)

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 7

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Fabaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Clitoria ternatea 43366 Fabaceae rosids Viridiplantae