input word = C00000622

Metabolite InformationStructural formula
Name (+)-Megacerotonic acid
Formula C18H14O7
Mw 342.0739528
CAS RN 130396-76-8
C_ID C00000622 ,
InChIKey ARPWMKRUUOTSGU-AIAQTCMDNA-N
InChICode InChI=1S/C18H14O7/c19-11-4-1-9(2-5-11)7-12-15(16(17(22)23)25-18(12)24)10-3-6-13(20)14(21)8-10/h1-8,15-16,19-21H,(H,22,23)/b12-7+/t15-,16-/m1/s1
SMILES c1c(c(cc(c1)[C@H]1[C@@H](OC(=O)/C/1=C/c1ccc(cc1)O)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDendrocerotaceaeMegaceros flagellaris Ref.
PlantaeNotothyladaceaeNotothylas temperata Ref.
PlantaeNotothyladaceaePhaeoceros laevis Ref.
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