input word = C00045931

Metabolite InformationStructural formula
Name Excavatolide A
(+)-Excavatolide A
Formula C24H31ClO8
Mw 482.17074568
CAS RN 205581-09-5
C_ID C00045931 ,
InChIKey KCKRPJJFBBQDGW-ZHLKNUJTNA-N
InChICode InChI=1S/C24H31ClO8/c1-10-7-8-16(30-13(4)26)23(6)17(31-14(5)27)9-15-11(2)19(25)21-24(33-15,20(28)18(10)23)12(3)22(29)32-21/h7,12,15-21,28H,2,8-9H2,1,3-6H3/t12-,15-,16-,17-,18+,19-,20-,21-,23+,24+/m0/s1
SMILES C1C=C([C@H]2[C@]([C@H]1OC(=O)C)([C@H](C[C@H]1C(=C)[C@@H]([C@H]3[C@]([C@H]2O)([C@H](C(=O)O3)C)O1)Cl)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Braiareum stechei Ref.
--Briareum excavatum Ref.
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