input word = C00049454

Metabolite InformationStructural formula
Name Excavatolide Y
(-)-Excavatolide Y
Formula C29H38O12
Mw 578.23632668
CAS RN 247921-84-2
C_ID C00049454 ,
InChIKey NMOBDMPJEIGODE-QDHIDXACNA-N
InChICode InChI=1S/C29H38O12/c1-9-22(33)39-18-13-20(37-16(4)31)26(6)11-10-19(36-15(3)30)27(7,35)23(26)24(38-17(5)32)29-21(12-14(18)2)40-25(34)28(29,8)41-29/h10-12,18-21,23-24,35H,9,13H2,1-8H3/b14-12-/t18-,19-,20-,21+,23-,24-,26+,27+,28+,29+/m1/s1
SMILES CCC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C=C[C@@H](OC(C)=O)[C@](C)(O)[C@@H]2[C@@H](OC(C)=O)[C@]23O[C@@]2(C)C(=O)O[C@H]3/C=CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briaereum excavatum Ref.
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