input word = C00064047

Metabolite InformationStructural formula
Name Dmetelin D
Formula C28H38O5
Mw 454.27192432
CAS RN 1802562-76-0
C_ID C00064047
InChIKey UKCDPEQADUKCDH-XALNOGQISA-N
InChICode InChI=1S/C28H38O5/c1-15-12-23(33-26(32)18(15)14-29)16(2)19-8-9-20-25-21(10-11-27(19,20)3)28(4)17(13-22(25)30)6-5-7-24(28)31/h5,7,13,16,19-23,25,29-30H,6,8-12,14H2,1-4H3/t16-,19+,20-,21-,22-,23+,25-,27+,28-/m0/s1
SMILES CC1=C(CO)C(=O)OC(C(C)C2CCC3C4C(O)C=C5CC=CC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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