input word = C00046413

Metabolite InformationStructural formula
Name Sphaerolabdadiene-3,14-diol
(+)-Sphaerolabdadiene-3,14-diol
Formula C20H33BrO2
Mw 384.1663932
CAS RN 361344-21-0
C_ID C00046413 ,
InChIKey UXNHALFPXFVTMG-HBKVTPDANA-N
InChICode InChI=1S/C20H33BrO2/c1-7-19(5,23)12-10-16-15(4)8-9-18(21)20(16,6)13-11-17(22)14(2)3/h7-8,16-18,22-23H,1-2,9-13H2,3-6H3/t16?,17-,18-,19+,20-/m1/s1
SMILES C1=C([C@H]([C@]([C@@H](C1)Br)(CC[C@@H](O)C(=C)C)C)CC[C@](C=C)(O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sphaerococcus coronopifolius Ref.
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OrganismSphaerococcus coronopifolius
ReferenceEtahiri,J.Nat.Prod.,64,(2001),1024