input word = C00038164

Metabolite InformationStructural formula
Name 14S-Bromo-1S-hydroxy-1,2,13,14-tetrahydrosphaerococcenol A
Formula C20H32Br2O3
Mw 478.07182069
CAS RN 1041650-04-7
C_ID C00038164 ,
InChIKey BIVHKSWAKLEJQJ-QIKVLCTJNA-N
InChICode InChI=1S/C20H32Br2O3/c1-11(2)12-5-6-13(23)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(24)19(17,4)25/h11-14,16-17,23,25H,5-10H2,1-4H3/t12-,13-,14-,16-,17-,18+,19+,20-/m0/s1
SMILES C1(=O)C[C@@H]([C@@]2([C@@H]([C@@]1(O)C)[C@H]1[C@](CC2)([C@@H](CC[C@@H]1O)C(C)C)CBr)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sphaerococcus coronopifolius Ref.
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