input word = C00057320

Metabolite InformationStructural formula
Name Monomethyl fumarate
Formula C5H6O4
Mw 130.02660868
CAS RN 2756-87-8
C_ID C00057320
InChIKey NKHAVTQWNUWKEO-NSCUHMNNSA-N
InChICode InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
SMILES COC(=O)/C=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTagetes minuta Ref.
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OrganismTagetes minuta
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 502D

644D

1, 645A

1, 695A

1, 742C

1, 844A (ir)