input word = C00022207

Metabolite InformationStructural formula
Name Ent-13-epiconcinndiol
Formula C20H35BrO2
Mw 386.18204326
CAS RN 126061-49-2
C_ID C00022207 ,
InChIKey RZGHGVYSEQLDBS-PJIYDNCBNA-N
InChICode InChI=1S/C20H35BrO2/c1-7-18(5,22)12-13-20(23)14(2)8-9-15-17(3,4)16(21)10-11-19(15,20)6/h7,14-16,22-23H,1,8-13H2,2-6H3/t14-,15?,16+,18+,19+,20-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@]([C@@H](CC2)C)(O)CC[C@@](O)(C=C)C)C)(C)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Chondria tenuissima Ref.
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