input word = C00000387

Metabolite InformationStructural formula
Name 9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Malyngic acid
Formula C18H32O5
Mw 328.22497413
CAS RN 74923-93-6
C_ID C00000387 ,
InChIKey MKYUCBXUUSZMQB-FBAKWNSHNA-N
InChICode InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17+/m0/s1
SMILES C(CCCCCC[C@@H](/C=C/[C@H]([C@@H](O)C/C=C\CC)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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