input word = C00042112

Metabolite InformationStructural formula
Name 3-Acetylsesterstatin
(+)-3-Acetylsesterstatin
Formula C27H40O5
Mw 444.28757439
CAS RN 393828-32-5
C_ID C00042112 ,
InChIKey GRIVEGVPDUNMNE-YHNUFJQTNA-N
InChICode InChI=1S/C27H40O5/c1-15(28)32-21-10-12-25(4)17(24(21,2)3)9-11-26(5)18-8-7-16-14-31-23(30)22(16)27(18,6)20(29)13-19(25)26/h17-21,29H,7-14H2,1-6H3/t17-,18-,19-,20+,21-,25-,26-,27+/m0/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)C5=C(CC[C@H]4[C@]3(C)CC[C@H]2C1(C)C)COC5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Hyrtios erecta Ref.
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