input word = C00063616

Metabolite InformationStructural formula
Name Baimantuoluoline D
Formula C29H42O8
Mw 518.28796832
CAS RN 1053187-21-5
C_ID C00063616
InChIKey BITPKXAIIYSKLI-QPVLULDUSA-N
InChICode InChI=1S/C29H42O8/c1-26-12-21(37-25(33)20(26)14-35-4)16(13-36-26)18-8-7-17-15-10-24(32)29(34)9-5-6-22(30)28(29,3)19(15)11-23(31)27(17,18)2/h5-6,15-21,23-24,31-32,34H,7-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,23+,24+,26+,27-,28-,29-/m0/s1
SMILES COCC1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4(O)CC=CC(=O)C4(C)C3CC(O)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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