input word = C00049590

Metabolite InformationStructural formula
Name Neurolenin G
Formula C21H28O8
Mw 408.17841787
CAS RN 233257-93-7
C_ID C00049590 ,
InChIKey BGNYEVHTEQZTRS-IBTCXAGENA-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/h7-8,10-11,14,16-18,26H,4,9H2,1-3,5-6H3/b8-7-/t11-,14+,16+,17-,18+,21-/m0/s1
SMILES C\1=C\[C@@H](C[C@@H]2[C@H]([C@@H]([C@H]([C@](C1=O)(O)C)OC(=O)C)OC(=O)C(C)C)C(=C)C(=O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNeurolaena oaxacana Ref.
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