input word = C00012090

Metabolite InformationStructural formula
Name Lobatin B
Formula C20H24O7
Mw 376.15220312
CAS RN 84754-02-9
C_ID C00012090 ,
InChIKey JXMKTEYFXIBRKC-VWBWRCDCNA-N
InChICode InChI=1S/C20H24O7/c1-9(2)6-15(22)26-17-16-11(4)19(24)25-13(16)7-10(3)12-8-14(21)20(5,27-12)18(17)23/h7-9,13,16-18,23H,4,6H2,1-3,5H3/b10-7-/t13-,16+,17+,18-,20+/m1/s1
SMILES C\1=C(\C2=CC(=O)[C@@]([C@@H]([C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)CC(C)C)O)(O2)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena lobata Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
zoom in



OrganismNeurolaena oaxacana
ReferencePassreiter,J.Nat.Prod.,62,(1999),1093