input word = C00044553

Metabolite InformationStructural formula
Name Astakolactin
(-)-Astakolactin
Formula C25H36O4
Mw 400.26135964
CAS RN 508226-57-1
C_ID C00044553 ,
InChIKey VRWCUJQWBMHNBO-YCPDOQMUNA-N
InChICode InChI=1S/C25H36O4/c1-19(7-4-8-20(2)10-6-12-23-15-16-28-17-23)9-5-11-22-13-14-24(26)21(3)25(27)29-18-22/h7,10-11,15-17,21,24,26H,4-6,8-9,12-14,18H2,1-3H3/b19-7+,20-10+,22-11-/t21-,24-/m1/s1
SMILES C/C(=CCC/C(C)=C/CCc1ccoc1)CC/C=C1/CC[C@@H](O)[C@@H](C)C(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cacospongia scalaris Ref.
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