PCIDB

KNApSAcK Metabolite C00030629

Metabolite

KNApSAcK Entry

id C00030629
Name Lancemaside B / (-)-Lancemaside B
CAS RN 1039450-76-4
Standard InChI InChI=1S/C63H100O31/c1-23-45(89-52-44(79)46(27(66)21-84-52)90-51-40(75)34(69)26(65)20-83-51)39(74)43(78)53(86-23)93-49-47(91-54-41(76)36(71)35(70)29(19-64)87-54)28(67)22-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-55-42(77)37(72)38(73)48(92-55)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)/t23-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,48-,49+,51-,52-,53-,54-,55+,56-,60-,61+,62+,63+/m0/s1
Standard InChI (Main Layer) InChI=1S/C63H100O31/c1-23-45(89-52-44(79)46(27(66)21-84-52)90-51-40(75)34(69)26(65)20-83-51)39(74)43(78)53(86-23)93-49-47(91-54-41(76)36(71)35(70)29(19-64)87-54)28(67)22-85-56(49)94-57(82)63-16-15-58(2,3)17-25(63)24-9-10-31-60(6)13-12-33(88-55-42(77)37(72)38(73)48(92-55)50(80)81)59(4,5)30(60)11-14-61(31,7)62(24,8)18-32(63)68/h9,23,25-49,51-56,64-79H,10-22H2,1-8H3,(H,80,81)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 4

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
Campanulaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Codonopsis lanceolata 103999 Campanulaceae asterids Viridiplantae