PCIDB

KNApSAcK Metabolite C00039772

Metabolite

KNApSAcK Entry

id C00039772
Name Mirabamide B / (-)-Mirabamide B
CAS RN 960223-82-9
Standard InChI InChI=1S/C72H111ClN12O25/c1-17-33(5)27-34(6)19-24-47(88)72(13,105)71(104)76-30-49(90)80-51(38(10)86)64(98)78-44(18-2)62(96)81-50(35(7)36(8)60(74)94)63(97)82-52-58(32(3)4)110-69(103)46-28-42(73)25-26-85(46)68(102)53(59(107-16)41-20-22-43(23-21-41)109-70-57(93)56(92)55(91)40(12)108-70)83-66(100)54(39(11)87)84(14)67(101)37(9)77-48(89)29-75-61(95)45(31-106-15)79-65(52)99/h18-24,27,32-33,35-40,42,45-47,50-59,70,86-88,91-93,105H,17,25-26,28-31H2,1-16H3,(H2,74,94)(H,75,95)(H,76,104)(H,77,89)(H,78,98)(H,79,99)(H,80,90)(H,81,96)(H,82,97)(H,83,100)/b24-19-,34-27+,44-18-/t33?,35-,36+,37-,38+,39+,40-,42-,45+,46-,47?,50-,51-,52?,53?,54-,55-,56+,57+,58+,59+,70-,72?/m0/s1
Standard InChI (Main Layer) InChI=1S/C72H111ClN12O25/c1-17-33(5)27-34(6)19-24-47(88)72(13,105)71(104)76-30-49(90)80-51(38(10)86)64(98)78-44(18-2)62(96)81-50(35(7)36(8)60(74)94)63(97)82-52-58(32(3)4)110-69(103)46-28-42(73)25-26-85(46)68(102)53(59(107-16)41-20-22-43(23-21-41)109-70-57(93)56(92)55(91)40(12)108-70)83-66(100)54(39(11)87)84(14)67(101)37(9)77-48(89)29-75-61(95)45(31-106-15)79-65(52)99/h18-24,27,32-33,35-40,42,45-47,50-59,70,86-88,91-93,105H,17,25-26,28-31H2,1-16H3,(H2,74,94)(H,75,95)(H,76,104)(H,77,89)(H,78,98)(H,79,99)(H,80,90)(H,81,96)(H,82,97)(H,83,100)

Cluster

Phytochemical cluster
KCF-S cluster No. 2097

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL249470

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
Siliquariaspongia mirabilis