input word = C00064643

Metabolite InformationStructural formula
Name Baimantuoluoline C
Formula C29H42O8
Mw 518.28796832
CAS RN 953390-36-8
C_ID C00064643
InChIKey BOFMUGXANDFGGL-KKCLDPPVSA-N
InChICode InChI=1S/C29H42O8/c1-15-10-22(37-26(34)18(15)14-36-4)17(13-30)20-8-7-19-16-11-25(33)29(35)9-5-6-23(31)28(29,3)21(16)12-24(32)27(19,20)2/h5-6,16-17,19-22,24-25,30,32-33,35H,7-14H2,1-4H3/t16-,17-,19-,20+,21-,22+,24+,25+,27-,28-,29-/m0/s1
SMILES COCC1=C(C)CC(C(CO)C2CCC3C4CC(O)C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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