input word = C00031182

Metabolite InformationStructural formula
Name Robustaside A
Formula C21H22O9
Mw 418.1263823
CAS RN 148810-39-3
C_ID C00031182 ,
InChIKey DTBYJDROKVCOQC-IIIMXHRNNA-N
InChICode InChI=1S/C21H22O9/c22-13-4-1-12(2-5-13)3-10-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-8-6-14(23)7-9-15/h1-10,16,18-23,25-27H,11H2/b10-3+/t16-,18-,19+,20-,21-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1Oc1ccc(cc1)O)COC(=O)/C=C/c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaeBreynia officinalis Ref.
PlantaeProteaceaeGrevillea robusta A.Cunn Ref.
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