input word = C00049384

Metabolite InformationStructural formula
Name Lamellarin L 20-sulfate
Formula C28H23NO11S
Mw 581.09918132
CAS RN 221169-75-1
C_ID C00049384 ,
InChIKey BSVZYKIGDQUQRZ-UHFFFAOYSA-N
InChICode InChI=1S/C28H23NO11S/c1-36-19-5-4-14(9-17(19)30)24-25-16-11-22(38-3)23(40-41(33,34)35)12-20(16)39-28(32)27(25)29-7-6-13-8-18(31)21(37-2)10-15(13)26(24)29/h4-5,8-12,30-31H,6-7H2,1-3H3,(H,33,34,35)
SMILES COc1ccc(-c2c3n(c4c(=O)oc5cc(OS(=O)(=O)O)c(OC)cc5c24)CCc2cc(O)c(OC)cc2-3)cc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum chartaceum Ref.
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