input word = C00064642

Metabolite InformationStructural formula
Name Baimantuoluoline B
Formula C28H42O7
Mw 490.2930537
CAS RN 953390-35-7
C_ID C00064642
InChIKey JAMJEDHAOGTJCL-LVPFNCKXSA-N
InChICode InChI=1S/C28H42O7/c1-14-10-21(35-25(33)15(14)2)17(13-29)19-12-20(30)24-16-11-23(32)28(34)8-5-6-22(31)27(28,4)18(16)7-9-26(19,24)3/h16-21,23-24,29-30,32,34H,5-13H2,1-4H3/t16-,17+,18+,19-,20-,21-,23-,24-,26-,27+,28+/m1/s1
SMILES CC1=C(C)C(=O)OC(C(CO)C2CC(O)C3C4CC(O)C5(O)CCCC(=O)C5(C)C4CCC23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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