input word = C00040651

Metabolite InformationStructural formula
Name Withametelin O
(-)-Withametelin O
Formula C28H38O6
Mw 470.26683895
CAS RN 946131-65-3
C_ID C00040651 ,
InChIKey QDXNBCJROMNCKV-NYCHXQJRNA-N
InChICode InChI=1S/C28H38O6/c1-15-24(31)34-21-13-26(15,3)33-14-17(21)19-8-7-18-16-12-23(30)28(32)10-5-6-22(29)27(28,4)20(16)9-11-25(18,19)2/h5-6,16-21,23,30,32H,1,7-14H2,2-4H3/t16-,17-,18-,19+,20-,21+,23-,25-,26+,27-,28+/m0/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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