input word = C00049382

Metabolite InformationStructural formula
Name Lamellarin B 20-sulfate
Formula C30H25NO12S
Mw 623.109746
CAS RN 221169-73-9
C_ID C00049382 ,
InChIKey GCSJMPWRIRXIJP-UHFFFAOYSA-N
InChICode InChI=1S/C30H25NO12S/c1-37-20-10-14(6-7-18(20)32)24-25-17-12-21(38-2)22(43-44(34,35)36)13-19(17)42-30(33)27(25)31-9-8-15-16(26(24)31)11-23(39-3)29(41-5)28(15)40-4/h6-13,32H,1-5H3,(H,34,35,36)
SMILES COc1cc(-c2c3c4cc(OC)c(OS(=O)(=O)O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum chartaceum Ref.
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