input word = C00038196

Metabolite InformationStructural formula
Name 1S-Hydroxy-1,2-dihydrosphaerococcenol A
Formula C20H31BrO3
Mw 398.14565776
CAS RN 1041650-02-5
C_ID C00038196 ,
InChIKey REIJBRJPDFHYHQ-PRDULBTPNA-N
InChICode InChI=1S/C20H31BrO3/c1-12(2)13-5-6-14(22)16-17-18(3,9-10-20(13,16)11-21)8-7-15(23)19(17,4)24/h7-8,12-14,16-17,22,24H,5-6,9-11H2,1-4H3/t13-,14-,16-,17+,18-,19+,20-/m0/s1
SMILES CC(C)[C@@H]1CC[C@H](O)[C@H]2C3[C@@](C)(C=CC(=O)[C@@]3(C)O)CC[C@@]21CBr
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sphaerococcus coronopifolius Ref.
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