input word = C00056436

Metabolite InformationStructural formula
Name 6-Keto-7-nomilol
Formula C28H34O11
Mw 546.21011193
CAS RN 108943-57-3
C_ID C00056436
InChIKey ZYTRZCSXUOZYBK-UHFFFAOYSA-N
InChICode InChI=1S/C28H34O11/c1-12(29)35-17-11-19(32)38-24(2,3)15-10-16(30)27(6)14(26(15,17)5)7-8-25(4)20(13-9-18(31)36-22(13)33)37-23(34)21-28(25,27)39-21/h9,14-15,17-18,20-21,31H,7-8,10-11H2,1-6H3
SMILES CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(C5=CC(O)OC5=O)OC(=O)C5OC543)C12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--a Citrus hybrid Ref.
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