input word = C00039655

Metabolite InformationStructural formula
Name Lophotoxin
Formula C22H24O8
Mw 416.14711774
CAS RN 78697-56-0
C_ID C00039655 ,
InChIKey KGRIGHVGXOOCOY-UYJFXPDCNA-N
InChICode InChI=1S/C22H24O8/c1-10(2)12-5-14-13(9-23)6-15(27-14)18-21(4,29-18)8-16-19-22(30-19,20(25)28-16)17(7-12)26-11(3)24/h6,9,12,16-19H,1,5,7-8H2,2-4H3/t12-,16-,17+,18+,19-,21-,22-/m1/s1
SMILES c12oc(c(c1)C=O)C[C@H](C[C@@H]([C@@]13[C@@H]([C@H](OC1=O)C[C@@]1([C@H]2O1)C)O3)OC(=O)C)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Leptogorgia alba Ref.
--Leptogorgia laxa Ref.
--Lophogorgia peruana Ref.
--Lophogorgia violacea Ref.
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