input word = C00008077

Metabolite InformationStructural formula
Name Albafuran C
Formula C34H28O9
Mw 580.17333249
CAS RN 84323-16-0
C_ID C00008077 ,
InChIKey SEUPIEHHWMMMQG-KMTJHKOXNA-N
InChICode InChI=1S/C34H28O9/c1-16-6-26(23-4-2-19(35)13-28(23)39)33(34(42)24-5-3-20(36)14-29(24)40)27(7-16)25-10-18-11-31(43-32(18)15-30(25)41)17-8-21(37)12-22(38)9-17/h2-5,7-15,26-27,33,35-41H,6H2,1H3/t26-,27+,33-/m1/s1
SMILES C1[C@@H]([C@H]([C@@H](C=C1C)c1cc2c(cc1O)oc(c2)c1cc(cc(c1)O)O)C(=O)c1ccc(cc1O)O)c1c(cc(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
PlantaeMoraceaeMorus lhou Ref.
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