input word = C00000874

Metabolite InformationStructural formula
Name Aplysin 20
Formula C20H35BrO2
Mw 386.18204326
CAS RN 17941-22-9
C_ID C00000874 ,
InChIKey VUFPGDSZNJURQC-KQWAWCDXNA-N
InChICode InChI=1S/C20H35BrO2/c1-14(10-13-22)6-7-16-19(4)11-9-17(21)18(2,3)15(19)8-12-20(16,5)23/h10,15-17,22-23H,6-9,11-13H2,1-5H3/b14-10+/t15-,16+,17+,19+,20-/m1/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)([C@@H]([C@](CC2)(C)O)CC/C(=C/CO)/C)C)(C)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia kurodai Ref.
--Marginosporum aberrans Ref.
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OrganismMarginosporum aberrans
ReferenceOhta,Phytochem.,16,(1977),1085