input word = C00044949

Metabolite InformationStructural formula
Name Mycaperoxide H
Formula C24H40O4
Mw 392.29265977
CAS RN 498572-90-0
C_ID C00044949 ,
InChIKey GDGRBTCRWIRALV-PZNWOMCFNA-N
InChICode InChI=1S/C24H40O4/c1-16-9-10-18-19(8-7-12-22(18,3)4)24(16,6)15-14-23(5)13-11-20(27-28-23)17(2)21(25)26/h8,16-18,20H,7,9-15H2,1-6H3,(H,25,26)/t16-,17+,18-,20+,23+,24-/m1/s1
SMILES C[C@H](C(=O)O)[C@@H]1CC[C@@](C)(CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)OO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mycale sp. Ref.
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