input word = C00057386

Metabolite InformationStructural formula
Name Phenylalaninebetaxanthin
Formula C18H18N2O6
Mw 358.11648632
CAS RN 1007894-70-3
C_ID C00057386
InChIKey HAMXRPQAHZQQOG-HHKPYGRHSA-N
InChICode InChI=1S/C18H18N2O6/c21-16(22)13(8-11-4-2-1-3-5-11)19-7-6-12-9-14(17(23)24)20-15(10-12)18(25)26/h1-7,9,13,15,20H,8,10H2,(H,21,22)(H,23,24)(H,25,26)/b12-6-,19-7+/t13-,15-/m0/s1
SMILES OC([C@H](CC1=CC=CC=C1)/N=C/C=C2C[C@@H](C(O)=O)NC(C(O)=O)=C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCactaceaeOpuntia ficus-indica Ref.
PlantaeCaryophyllalesBeta vulgaris Ref.
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