input word = C00057211

Metabolite InformationStructural formula
Name Rosmic acid
Formula C21H26O7
Mw 390.16785319
CAS RN 197799-63-6
C_ID C00057211
InChIKey CAXSJVGHYYBJKT-GVXCCEMESA-N
InChICode InChI=1S/C21H26O7/c1-10(2)11(18(25)27-5)9-12-13(17(23)24)21-8-6-7-20(3,4)16(21)15(14(12)22)28-19(21)26/h9-10,15-16H,6-8H2,1-5H3,(H,23,24)/b11-9-/t15-,16+,21+/m1/s1
SMILES OC(C([C@]12[C@]([C@@H]3OC2=O)([H])C(C)(C)CCC1)=C(/C=C(C(OC)=O)/C(C)C)C3=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRosmarinus officinalis Ref.
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