input word = C00056714

Metabolite InformationStructural formula
Name 2',4'-Dihydroxy-7-methoxyflavan-8-butanoic acid
Formula C20H22O6
Mw 358.14163844
CAS RN 1245744-46-0
C_ID C00056714
InChIKey MGDHREZDFXVTNH-SFHVURJKSA-N
InChICode InChI=1S/C20H22O6/c1-25-17-9-5-12-6-10-18(14-8-7-13(21)11-16(14)22)26-20(12)15(17)3-2-4-19(23)24/h5,7-9,11,18,21-22H,2-4,6,10H2,1H3,(H,23,24)/t18-/m0/s1
SMILES OC(C=C1O)=CC=C1[C@H](CC2)OC3=C2C=CC(OC)=C3CCCC(O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
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