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=C1C(=O)O[C@@H]2/C=C(/C)C3=CC(=O)[C@](C)(O3)[C@H](O)[C@@H](OC(=O)CC(C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena lobata Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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