input word = C00062982

Metabolite InformationStructural formula
Name Methyl nomilinate
Formula C29H38O10
Mw 546.24649744
CAS RN 77887-51-5
C_ID C00062982
InChIKey CDPVCJRXJYQLCD-RMWDWGLDSA-N
InChICode InChI=1S/C29H38O10/c1-15(30)37-20(13-21(32)35-7)27(5)17-8-10-26(4)22(16-9-11-36-14-16)38-24(33)23-29(26,39-23)28(17,6)19(31)12-18(27)25(2,3)34/h9,11,14,17-18,20,22-23,34H,8,10,12-13H2,1-7H3/t17-,18+,20-,22+,23-,26+,27-,28+,29-/m1/s1
SMILES COC(=O)CC(OC(C)=O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC1(C)C(c3ccoc3)OC(=O)C3OC312
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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