input word = C00048945

Metabolite InformationStructural formula
Name 3beta-Hydroxy-3-deoxycarapin
Formula C27H34O7
Mw 470.23045344
CAS RN 26808-20-8
C_ID C00048945 ,
InChIKey WAIKPAHSFOBDTD-UHFFFAOYNA-N
InChICode InChI=1S/C27H34O7/c1-25(2)19(12-20(28)32-5)27(4)17-6-8-26(3)18(15(17)10-16(22(25)30)23(27)31)11-21(29)34-24(26)14-7-9-33-13-14/h7,9,13,16-17,19,22,24,30H,6,8,10-12H2,1-5H3/t16-,17+,19+,22-,24-,26+,27+/m1/s1
SMILES [C@@H]1(C([C@@H]([C@@]2([C@@H]3C(=C4[C@](CC3)([C@H](OC(=O)C4)c3ccoc3)C)C[C@H]1C2=O)C)CC(=O)OC)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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