input word = C00045545

Metabolite InformationStructural formula
Name 2-Hydroxyseneganolide
Formula C26H30O9
Mw 486.18898256
CAS RN 345232-56-6
C_ID C00045545 ,
InChIKey KZFPZDFHHOUZCZ-NFYCENATNA-N
InChICode InChI=1S/C26H30O9/c1-21(2)15-8-17(27)33-12-23(15)14-4-6-22(3)16(9-18(28)34-19(22)13-5-7-32-10-13)24(14)11-25(30,20(21)29)26(23,31)35-24/h5,7,10,14-16,19,30-31H,4,6,8-9,11-12H2,1-3H3/t14-,15+,16-,19+,22-,23-,24-,25-,26-/m1/s1
SMILES [C@H]12CC[C@@]3([C@H]([C@]41C[C@]1(C(=O)C([C@H]5[C@@]2([C@]1(O4)O)COC(=O)C5)(C)C)O)CC(=O)O[C@H]3c1cocc1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeKhaya senegalensis Ref.
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