input word = C00064641

Metabolite InformationStructural formula
Name Baimantuoluoline A
Formula C28H38O7
Mw 486.26175357
CAS RN 953390-34-6
C_ID C00064641
InChIKey PXNLYJYFBSKVBN-PTDGIQJJSA-N
InChICode InChI=1S/C28H38O7/c1-12-9-18(34-25(32)13(12)2)14(3)15-10-17(29)22-21-16(11-20(31)26(15,22)4)27(5)19(30)7-6-8-28(27,33)24-23(21)35-24/h6-7,14-18,20-24,29,31,33H,8-11H2,1-5H3/t14-,15+,16-,17+,18+,20+,21+,22-,23-,24-,26-,27-,28-/m0/s1
SMILES CC1=C(C)C(=O)OC(C(C)C2CC(O)C3C4C5OC5C5(O)CC=CC(=O)C5(C)C4CC(O)C23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura metel Ref.
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