input word = C00040319

Metabolite InformationStructural formula
Name Sinularolide C
(-)-Sinularolide C
Formula C20H28O5
Mw 348.193674
CAS RN 852469-26-2
C_ID C00040319 ,
InChIKey MULWDJOXRRXULO-HFVWLMETNA-N
InChICode InChI=1S/C20H28O5/c1-12-6-4-8-13(2)17(22)18-15(14(3)19(23)24-18)10-16-20(11-21,25-16)9-5-7-12/h7-8,15-18,21-22H,3-6,9-11H2,1-2H3/b12-7-,13-8+/t15-,16-,17+,18-,20+/m1/s1
SMILES C\1=C(\CC/C=C(/[C@@H]([C@H]2[C@H](C[C@@H]3[C@@](CC1)(O3)CO)C(=C)C(=O)O2)O)\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lobophytum crassum Ref.
--Sinularia gibberosa Ref.
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OrganismSinularia gibberosa
ReferenceLi,J.Nat.Prod.,68,(2005),649