input word = C00054742

Metabolite InformationStructural formula
Name 2,3-Dihydro-3beta-methoxyixocarpalactone A
Formula C29H44O9
Mw 536.298533
CAS RN 626199-71-1
C_ID C00054742
InChIKey XXPLXMJONPLTJU-RKLQXBMUSA-N
InChICode InChI=1S/C29H44O9/c1-12-13(2)25(34)37-21(12)24(33)28(5,35)22-17(30)10-16-14-9-20-29(38-20)23(32)18(36-6)11-19(31)27(29,4)15(14)7-8-26(16,22)3/h12-18,20-24,30,32-33,35H,7-11H2,1-6H3/t12-,13-,14-,15+,16+,17+,18+,20-,21-,22+,23+,24-,26+,27+,28-,29+/m1/s1
SMILES CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H](O)[C@@H]5OC(=O)[C@H](C)[C@H]5C)[C@@H](O)C[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis philadelphica Ref.
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