input word = C00000413

Metabolite InformationStructural formula
Name Hepoxilin B3
Formula C20H32O4
Mw 336.23005951
CAS RN 94161-10-1
C_ID C00000413 ,
InChIKey DWNBPRRXEVJMPO-WVSCRDSKNA-N
InChICode InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17-,18+,20+/m1/s1
SMILES [C@@H](/C=C\C/C=C\CCCC(=O)O)([C@H]1[C@H](C/C=C\CCCCC)O1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Murrayella periclados Ref.
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OrganismMurrayella periclados
ReferenceBernart,Phytochem.,36,(1994),1233