input word = C00041703

Metabolite InformationStructural formula
Name Nomilinic acid
Formula C28H36O10
Mw 532.23084737
CAS RN 35930-20-2
C_ID C00041703 ,
InChIKey ZIKZPLSIAVHITA-STTHEHOXNA-N
InChICode InChI=1S/C28H36O10/c1-14(29)36-19(12-20(31)32)26(5)16-7-9-25(4)21(15-8-10-35-13-15)37-23(33)22-28(25,38-22)27(16,6)18(30)11-17(26)24(2,3)34/h8,10,13,16-17,19,21-22,34H,7,9,11-12H2,1-6H3,(H,31,32)/t16-,17+,19-,21+,22-,25+,26+,27+,28-/m1/s1
SMILES [C@H]12[C@]3([C@]([C@@H](OC1=O)c1ccoc1)(CC[C@H]1[C@]3(C(=O)C[C@H]([C@]1([C@@H](CC(=O)O)OC(=O)C)C)C(O)(C)C)C)C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus paradisi L. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
--Ciyrus aurantium Ref.
--Ciyrus junos Ref.
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