input word = C00049375

Metabolite InformationStructural formula
Name Excavatolide I
(+)-Excavatolide I
Formula C32H44O13
Mw 636.27819149
CAS RN 221664-91-1
C_ID C00049375 ,
InChIKey PXMVCLJNHYLOIG-LHWZIASWNA-N
InChICode InChI=1S/C32H44O13/c1-10-11-25(37)43-22-12-15(2)13-24-32(31(9,45-32)29(38)44-24)28(42-20(7)36)26-16(3)21(39-17(4)33)14-23(40-18(5)34)30(26,8)27(22)41-19(6)35/h13,16,21-24,26-28H,10-12,14H2,1-9H3/b15-13-/t16-,21-,22-,23-,24-,26+,27+,28-,30-,31-,32-/m0/s1
SMILES CCCC(=O)O[C@H]1C/C(C)=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](OC(C)=O)[C@H]2[C@@H](C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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