PCIDB

KNApSAcK Metabolite C00049542

Metabolite

KNApSAcK Entry

id C00049542
Name Triscutin B / (+)-Triscutin B
CAS RN 247017-67-0
Standard InChI InChI=1S/C90H122O12/c1-50-52-22-24-59-80(9,35-41-85(14)61-47-77(6,71(92)96-19)29-26-74(61,3)32-38-83(59,85)12)54(52)44-57-66(50)100-69-68(99-57)65-51(2)67-58(45-56(65)82(11)37-43-87(16)63-49-79(8,73(94)98-21)31-28-76(63,5)34-40-88(87,17)70(69)82)101-90(95)64(91)46-55-53(89(90,18)102-67)23-25-60-81(55,10)36-42-86(15)62-48-78(7,72(93)97-20)30-27-75(62,4)33-39-84(60,86)13/h23,25,44-46,59,61-63,68-70,95H,22,24,26-43,47-49H2,1-21H3/t59?,61?,62-,63?,68+,69+,70?,74-,75-,76-,77-,78-,79-,80+,81+,82+,83-,84-,85+,86+,87+,88-,89+,90-/m1/s1
Standard InChI (Main Layer) InChI=1S/C90H122O12/c1-50-52-22-24-59-80(9,35-41-85(14)61-47-77(6,71(92)96-19)29-26-74(61,3)32-38-83(59,85)12)54(52)44-57-66(50)100-69-68(99-57)65-51(2)67-58(45-56(65)82(11)37-43-87(16)63-49-79(8,73(94)98-21)31-28-76(63,5)34-40-88(87,17)70(69)82)101-90(95)64(91)46-55-53(89(90,18)102-67)23-25-60-81(55,10)36-42-86(15)62-48-78(7,72(93)97-20)30-27-75(62,4)33-39-84(60,86)13/h23,25,44-46,59,61-63,68-70,95H,22,24,26-43,47-49H2,1-21H3

Cluster

Phytochemical cluster
KCF-S cluster No. 5671

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
Celastraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Maytenus scutioides 123430 Celastraceae rosids Viridiplantae