input word = C00063946

Metabolite InformationStructural formula
Name Lithosenine
Formula C20H33NO8
Mw 415.22061704
CAS RN 159903-58-9
C_ID C00063946
InChIKey MOXWDXAGEVGLLJ-WMHAJJRKSA-N
InChICode InChI=1S/C20H33NO8/c1-12(22)20(27,19(4,5)26)17(24)28-11-13-6-8-21-9-7-14(16(13)21)29-15(23)10-18(2,3)25/h6,12,14,16,22,25-27H,7-11H2,1-5H3/t12-,14+,16+,20+/m0/s1
SMILES CC(O)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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