input word = C00011798

Metabolite InformationStructural formula
Name 3-Epinobilin
Formula C20H26O5
Mw 346.17802394
CAS RN 63569-11-9
C_ID C00011798 ,
InChIKey QFINJHBXXJQKPB-DYYKGAKPNA-N
InChICode InChI=1S/C20H26O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-6+,13-10-/t15-,16-,17+,18+/m0/s1
SMILES C\1(=C/C[C@@H](/C(=C\[C@@H]2[C@@H]([C@H](C1)OC(=O)/C(=C/C)/C)C(=C)C(=O)O2)/C)O)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAnthemis nobilis Ref.
PlantaeAsteraceaeChamaemelum nobile Ref.
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