input word = C00012318

Metabolite InformationStructural formula
Name Lobatin A
Formula C20H28O7
Mw 380.18350325
CAS RN 84754-03-0
C_ID C00012318 ,
InChIKey UDVWRXYAYUIACW-OCPIURMSNA-N
InChICode InChI=1S/C20H28O7/c1-10(2)8-15(22)27-17-16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(5,25)18(17)23/h6,10,13,16-18,23,25H,4,7-9H2,1-3,5H3/b11-6+/t13-,16-,17+,18-,20+/m1/s1
SMILES [C@H]12[C@H](OC(=O)C1=C)C/C(=C/CC(=O)[C@]([C@@H]([C@H]2OC(=O)CC(C)C)O)(C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena lobata Ref.
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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