input word = C00050284

Metabolite InformationStructural formula
Name Exodeconolide A
Formula C28H36O6
Mw 468.25118888
CAS RN 190731-18-1
C_ID C00050284 ,
InChIKey YARITIRBZOEIHO-QDZZJJDTNA-N
InChICode InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H](/C(C)=C2[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Exodeconus maritimus Ref.
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OrganismExodeconus maritimus
ReferenceGil,J.Nat.Prod.,60,(1997),568