PCIDB

KNApSAcK Metabolite C00040251

Metabolite

KNApSAcK Entry

id C00040251
Name Scaberoside Hi
CAS RN 154971-90-1
Standard InChI InChI=1S/C74H118O39/c1-25-38(81)42(85)48(91)63(102-25)108-54-32(79)24-101-66(58(54)112-65-51(94)55(52(26(2)103-65)106-60-46(89)39(82)29(76)21-98-60)109-62-50(93)53(31(78)23-100-62)107-61-47(90)40(83)30(77)22-99-61)113-68(97)74-17-16-69(3,4)18-28(74)27-10-11-35-71(7)14-13-37(70(5,6)34(71)12-15-72(35,8)73(27,9)19-36(74)80)105-67-57(45(88)44(87)56(110-67)59(95)96)111-64-49(92)43(86)41(84)33(20-75)104-64/h10,25-26,28-58,60-67,75-94H,11-24H2,1-9H3,(H,95,96)
Standard InChI (Main Layer) InChI=1S/C74H118O39/c1-25-38(81)42(85)48(91)63(102-25)108-54-32(79)24-101-66(58(54)112-65-51(94)55(52(26(2)103-65)106-60-46(89)39(82)29(76)21-98-60)109-62-50(93)53(31(78)23-100-62)107-61-47(90)40(83)30(77)22-99-61)113-68(97)74-17-16-69(3,4)18-28(74)27-10-11-35-71(7)14-13-37(70(5,6)34(71)12-15-72(35,8)73(27,9)19-36(74)80)105-67-57(45(88)44(87)56(110-67)59(95)96)111-64-49(92)43(86)41(84)33(20-75)104-64/h10,25-26,28-58,60-67,75-94H,11-24H2,1-9H3,(H,95,96)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 49

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Asteraceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aster scaber 385370 Asteraceae asterids Viridiplantae