input word = C00048709

Metabolite InformationStructural formula
Name Excavatolide C
(-)-Excavatolide C
Formula C28H38O12
Mw 566.23632668
CAS RN 205581-11-9
C_ID C00048709 ,
InChIKey MXIDZAWPMIVXFC-FXCSOQKSNA-N
InChICode InChI=1S/C28H38O12/c1-12-9-19(35-14(3)29)23(37-16(5)31)26(7)20(36-15(4)30)11-18(33)13(2)22(26)24(38-17(6)32)28-21(10-12)39-25(34)27(28,8)40-28/h10,13,18-24,33H,9,11H2,1-8H3/b12-10-/t13-,18-,19-,20-,21-,22+,23-,24-,26-,27-,28-/m0/s1
SMILES [C@H]1([C@@]23[C@H](/C=C(\C[C@@H]([C@@H]([C@@]4([C@@H]1[C@H]([C@H](C[C@@H]4OC(=O)C)O)C)C)OC(=O)C)OC(=O)C)/C)OC(=O)[C@@]2(O3)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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