Metabolite

KNApSAcK Entry

id C00022979
Name Braunixanthin 2
CAS RN 196207-43-9
Standard InChI InChI=1S/C113H182O8/c1-26-27-28-29-46-49-64-102(119-105-83-111(20,21)101(97(17)108(105)114)73-67-89(9)61-54-59-87(7)57-52-51-56-86(6)58-53-60-88(8)66-72-100-96(16)62-55-78-110(100,18)19)103(65-50-47-44-42-40-38-36-34-32-30-31-33-35-37-39-41-43-45-48-63-98-81-99(117-24)82-104(118-25)109(98)115)121-113(23,80-77-95(15)93(13)71-69-91(11)85(4)5)107-75-74-106(120-107)112(22,116)79-76-94(14)92(12)70-68-90(10)84(2)3/h51-54,56-61,66-67,72-73,81-82,90-91,94-95,102-103,105-107,115-116H,2,4,12-13,26-50,55,62-65,68-71,74-80,83H2,1,3,5-11,14-25H3/b52-51+,58-53+,59-54+,72-66+,73-67+,86-56+,87-57+,88-60+,89-61+
Standard InChI (Main Layer) InChI=1S/C113H182O8/c1-26-27-28-29-46-49-64-102(119-105-83-111(20,21)101(97(17)108(105)114)73-67-89(9)61-54-59-87(7)57-52-51-56-86(6)58-53-60-88(8)66-72-100-96(16)62-55-78-110(100,18)19)103(65-50-47-44-42-40-38-36-34-32-30-31-33-35-37-39-41-43-45-48-63-98-81-99(117-24)82-104(118-25)109(98)115)121-113(23,80-77-95(15)93(13)71-69-91(11)85(4)5)107-75-74-106(120-107)112(22,116)79-76-94(14)92(12)70-68-90(10)84(2)3/h51-54,56-61,66-67,72-73,81-82,90-91,94-95,102-103,105-107,115-116H,2,4,12-13,26-50,55,62-65,68-71,74-80,83H2,1,3,5-11,14-25H3

Cluster

Phytochemical cluster
KCF-S cluster No. 4961

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
Viridiplantae 1

Family

family name count
Botryococcaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Botryococcus braunii Kawaguchi-1 strain 38880 Botryococcaceae Viridiplantae Viridiplantae