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 CC1=C[C@@H](c2cc3cc(-c4cc(O)cc(O)c4)oc3cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeMorus alba Ref.
PlantaeMoraceaeMorus lhou Ref.
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