input word = C00063945

Metabolite InformationStructural formula
Name Acetyllithosenine
Formula C22H35NO9
Mw 457.23118172
CAS RN 159690-29-6
C_ID C00063945
InChIKey RWSVCNGLTCIUJD-RONDGGJASA-N
InChICode InChI=1S/C22H35NO9/c1-13(31-14(2)24)22(29,21(5,6)28)19(26)30-12-15-7-9-23-10-8-16(18(15)23)32-17(25)11-20(3,4)27/h7,13,16,18,27-29H,8-12H2,1-6H3/t13-,16+,18+,22+/m0/s1
SMILES CC(=O)OC(C)C(O)(C(=O)OCC1=CCN2CCC(OC(=O)CC(C)(C)O)C12)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeLithospermum officinale Ref.
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