input word = C00049580

Metabolite InformationStructural formula
Name Lobatin D
(-)-Lobatin D
Formula C21H28O8
Mw 408.17841787
CAS RN 243142-59-8
C_ID C00049580 ,
InChIKey NBRAQNXWMLYAFU-JBCLZUDANA-N
InChICode InChI=1S/C21H28O8/c1-10(2)19(24)29-17-16-12(4)20(25)28-14(16)9-11(3)7-8-15(23)21(6,26)18(17)27-13(5)22/h7,10,14,16-18,26H,4,8-9H2,1-3,5-6H3/b11-7+/t14-,16-,17+,18-,21+/m1/s1
SMILES C=C1C(=O)O[C@@H]2C/C(C)=C/CC(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena oaxacana Ref.
zoom in