input word = C00058602

Metabolite InformationStructural formula
Name Marshdimerin
Formula C48H54O8
Mw 758.3818687
CAS RN 192189-93-8
C_ID C00058602
InChIKey NBUQNPBZWAGFSQ-UHFFFAOYSA-N
InChICode InChI=1S/C48H54O8/c1-17-43(5,6)31-25-29-34(27-21-23-47(13,14)55-37(27)33(45(9,10)19-3)36(29)52-41(31)49)51-40-38-30(26-32(42(50)53-38)44(7,8)18-2)35(54-46(11,12)20-4)28-22-24-48(15,16)56-39(28)40/h17-26H,1-4H2,5-16H3
SMILES C=CC(C)(C)Oc1c2c(c(Oc3c4c(c(C(C)(C)C=C)c5oc(=O)c(C(C)(C)C=C)cc35)OC(C)(C)C=C4)c3oc(=O)c(C(C)(C)C=C)cc13)OC(C)(C)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus paradisi Ref.
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OrganismCitrus paradisi
ReferenceY. Takemura et al., Chem. Abs., (1997), 127, 95138.