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 COC(=O)CC1C(C)(C)C(O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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