input word = C00049882

Metabolite InformationStructural formula
Name Mycaperoxide F methyl ester
Formula C25H44O5
Mw 424.31887452
CAS RN 133530-24-2
C_ID C00049882 ,
InChIKey WCYWWYZSPHIFJY-CFAKFJTONA-N
InChICode InChI=1S/C25H44O5/c1-17-9-16-25(27)22(3,4)12-8-13-24(25,6)19(17)10-14-23(5)15-11-20(29-30-23)18(2)21(26)28-7/h17-20,27H,8-16H2,1-7H3/t17-,18+,19+,20+,23-,24-,25-/m1/s1
SMILES [C@]12([C@](C(CCC1)(C)C)(CC[C@H]([C@@H]2CC[C@]1(OO[C@@H](CC1)[C@H](C)C(=O)OC)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mycale spp. Ref.
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