input word = C00029846

Metabolite InformationStructural formula
Name Bourjotinolone A
Formula C30H48O4
Mw 472.35526002
CAS RN 6985-35-9
C_ID C00029846 ,
InChIKey RNETYSXHFSDFMM-OZGKZJQUNA-N
InChICode InChI=1S/C30H48O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-23,25,31,33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,25+,28-,29+,30-/m1/s1
SMILES C1C(=O)C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@@]2([C@@](CC1)([C@@H](CC2)[C@@H]1C[C@H]([C@H](OC1)C(O)(C)C)O)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeCedrela sinensis Ref.
PlantaeMeliaceaeTrichilia hispida Ref.
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