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@H]1(CC[C@@H]2C(=CCCC2(C)C)[C@@]1(CC[C@]1(OO[C@@H](CC1)[C@@H](C(=O)O)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mycale sp. Ref.
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OrganismMycale sp.
ReferencePhuwapraisirisan,J.Nat.Prod.,66,(2003),289