input word = C00038234

Metabolite InformationStructural formula
Name 2S-Hydroperoxy-12S-hydroxyisobromosphaerol
Formula C20H32Br2O4
Mw 494.06673531
CAS RN 1041650-00-3
C_ID C00038234 ,
InChIKey BDSVYFLMKBMVBZ-XVFQVTBINA-N
InChICode InChI=1S/C20H32Br2O4/c1-11(2)13-7-12(26-25)8-14-17-18(3,5-6-20(13,14)10-21)15(22)9-16(23)19(17,4)24/h8,11-13,15-17,23-25H,5-7,9-10H2,1-4H3/t12-,13-,15-,16-,17-,18+,19+,20-/m0/s1
SMILES [C@@H]1(C[C@@H]([C@@]2([C@@H]([C@]1(C)O)C1=C[C@H](C[C@H]([C@]1(CC2)CBr)C(C)C)OO)C)Br)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sphaerococcus coronopifolius Ref.
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