input word = C00049631

Metabolite InformationStructural formula
Name Daturolactone 7
(-)Daturolactone 7
Formula C28H36O6
Mw 468.25118888
CAS RN 239440-65-4
C_ID C00049631 ,
InChIKey GMKKYUOVUDHFQR-HUZMWVIENA-N
InChICode InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura ferox Ref.
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