input word = C00036116

Metabolite InformationStructural formula
Name Brassicasterone
Ergosta-4,22-dien-3-one
Formula C28H44O
Mw 396.33921603
CAS RN 4030-92-6
C_ID C00036116 ,
InChIKey OWYXOXZSAKVGHJ-SEBUYRCCNA-N
InChICode InChI=1S/C28H44O/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/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+/t19-,20-,23-,24+,25-,26-,27-,28+/m0/s1
SMILES CC(/C=C/[C@H](C)C(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia multicaulis Ref.
--Crotone hieronymi Ref.
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OrganismCrotone hieronymi
ReferenceCatalan,Phytochem.,64,(2003),625