input word = C00064045

Metabolite InformationStructural formula
Name Dmetelin B
Formula C29H42O5
Mw 470.30322445
CAS RN 1802562-74-8
C_ID C00064045
InChIKey FHUFFRPYKZQSSR-PTSYBLANSA-N
InChICode InChI=1S/C29H42O5/c1-16-12-25(34-27(32)21(16)15-30)17(2)22-8-9-23-20-7-6-18-13-19(33-5)14-26(31)29(18,4)24(20)10-11-28(22,23)3/h6-7,13,17,19-20,22-26,30-31H,8-12,14-15H2,1-5H3/t17-,19+,20-,22+,23-,24-,25+,26-,28+,29-/m0/s1
SMILES COC1C=C2C=CC3C4CCC(C(C)C5CC(C)=C(CO)C(=O)O5)C4(C)CCC3C2(C)C(O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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