input word = C00003646

Metabolite InformationStructural formula
Name Brassicasterol
(24R)24-Methylcholest-5,22-dien-3beta-ol
Formula C28H46O
Mw 398.35486609
CAS RN 474-67-9
C_ID C00003646 ,
InChIKey OILXMJHPFNGGTO-QHFAAILRNA-N
InChICode InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20-,22-,23-,24+,25-,26-,27-,28-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@@]1([C@H]3CC[C@@H]1[C@H](/C=C/[C@@H](C(C)C)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiArthrodermataceaeTrichophyton rubrum Ref.
FungiCladoniaceaeCladonia gonecha Ref.
FungiClavicipitaceaeClaviceps fusiformis Ref.
FungiClavicipitaceaeClaviceps purpurea Ref.
FungiGnomoniaceaeGnomonia leptostyla Ref.
FungiProtomycetaceaeProtomyces sp. Ref.
FungiStereocaulaceaeStereocaulon tomentosum Ref.
FungiTaphrinaceaeTaphrina sp. Ref.
FungiTerfeziaceae/PezizaceaeTerfezia sp. Ref.
FungiTrichocomaceaeAspergillus oryzae Ref.
PlantaeAlliaceaeAllium obliquum Ref.
PlantaeAsteraceaeAgeratina conyzoides Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeBrassica rapa L. Ref.
PlantaePlantaginaceaeVeronica officinalis Ref.
PlantaePlantaginaceaeVeronica orchidea Ref.
PlantaePlantaginaceaeVeronica teucrium Ref.
PlantaePosidoniaceaePosidonia oceanica Ref.
PlantaeSapindaceaeSchleichera trijuga Ref.
--Chloromorum toxicum Ref.
--Chorisia insignis Ref.
--Chorisia speciosa Ref.
--Genera protomyces Ref.
--Tuber bramale Ref.
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