input word = C00042705

Metabolite InformationStructural formula
Name Lobophytol acetate
Formula C22H30O5
Mw 374.20932407
CAS RN 77449-19-5
C_ID C00042705 ,
InChIKey POKKLMMGTSYIOG-NHBSDZJZNA-N
InChICode InChI=1S/C22H30O5/c1-13-7-6-8-14(2)11-20-19(15(3)22(25)27-20)12-21(26-17(5)24)18(10-9-13)16(4)23/h7,11,18-21H,3,6,8-10,12H2,1-2,4-5H3/b13-7+,14-11-/t18-,19+,20+,21-/m1/s1
SMILES C\1(=C\[C@H]2[C@@H](C[C@H]([C@H](CC/C(=C/CC1)/C)C(=O)C)OC(=O)C)C(=C)C(=O)O2)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia gibberosa Ref.
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