input word = C00039291

Metabolite InformationStructural formula
Name Grandilobatin A
(+)-Grandilobatin A
Formula C21H36O4
Mw 352.26135964
CAS RN 1033611-40-3
C_ID C00039291 ,
InChIKey PUAPJGQBSUWLAY-CLAJFLMANA-N
InChICode InChI=1S/C21H36O4/c1-16-8-7-10-20(5,24)12-13-21(25-6,19(3,4)23)11-9-17(2)15-18(22)14-16/h8,12-13,17,23-24H,7,9-11,14-15H2,1-6H3/b13-12+,16-8+/t17-,20+,21+/m0/s1
SMILES C1C(=O)C/C(=C/CC[C@@](/C=C/[C@](CC[C@@H]1C)(C(C)(O)C)OC)(C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Sinularia grandilobata Ref.
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