PCIDB

KNApSAcK Metabolite C00006046

Metabolite

KNApSAcK Entry

id C00006046
Name Montbretin B
CAS RN 115712-91-9
Standard InChI InChI=1S/C53H64O32/c1-16-31(61)37(67)42(72)50(76-16)80-28-15-75-49(41(71)35(28)65)82-45-23(58)9-19(10-24(45)59)44-46(36(66)30-22(57)11-21(56)12-25(30)78-44)83-52-47(39(69)32(62)17(2)77-52)85-53-48(84-51-43(73)38(68)33(63)26(13-54)79-51)40(70)34(64)27(81-53)14-74-29(60)8-5-18-3-6-20(55)7-4-18/h3-12,16-17,26-28,31-35,37-43,47-59,61-65,67-73H,13-15H2,1-2H3/b8-5+/t16-,17?,26?,27?,28+,31-,32-,33+,34+,35?,37?,38?,39-,40?,41+,42?,43+,47?,48?,49-,50-,51-,52-,53-/m0/s1
Standard InChI (Main Layer) InChI=1S/C53H64O32/c1-16-31(61)37(67)42(72)50(76-16)80-28-15-75-49(41(71)35(28)65)82-45-23(58)9-19(10-24(45)59)44-46(36(66)30-22(57)11-21(56)12-25(30)78-44)83-52-47(39(69)32(62)17(2)77-52)85-53-48(84-51-43(73)38(68)33(63)26(13-54)79-51)40(70)34(64)27(81-53)14-74-29(60)8-5-18-3-6-20(55)7-4-18/h3-12,16-17,26-28,31-35,37-43,47-59,61-65,67-73H,13-15H2,1-2H3

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
Liliopsida 1

Family

family name count
Iridaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Crocosmia x crocosmiiflora 1053288 Iridaceae Liliopsida Viridiplantae