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 O=C([C@H](C)[C@H]1C)O[C@@]1([H])[C@@H](O)[C@@](O)(C)[C@@]2([H])[C@@H](O)C[C@@]3([H])[C@]4([H])C[C@]5([H])[C@]([C@@]6(C)[C@@]4([H])CC[C@@]32C)(O5)[C@@H](O)[C@@H](OC)CC6=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis philadelphica Ref.
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