input word = C00046412

Metabolite InformationStructural formula
Name Sphaerococcenol A
Formula C20H29BrO2
Mw 380.13509307
CAS RN 60244-34-0
C_ID C00046412 ,
InChIKey MLAJPUJSVVNEHK-JPLVJBSENA-N
InChICode InChI=1S/C20H29BrO2/c1-13(2)14-6-5-7-15-17-18(3,10-11-20(14,15)12-21)9-8-16(22)19(17,4)23/h5,7-9,13-15,17,23H,6,10-12H2,1-4H3/t14-,15+,17-,18+,19+,20-/m0/s1
SMILES C1(=O)C=C[C@]2([C@@H]([C@@]1(O)C)[C@@H]1[C@](CC2)([C@@H](CC=C1)C(C)C)CBr)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sphaerococcus coronipifolius Ref.
--Sphaerococcus coronopifolius Ref.
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