input word = C00035171

Metabolite InformationStructural formula
Name Mallorepanin
Formula C34H26O23
Mw 802.08648714
CAS RN 131402-70-5
C_ID C00035171 ,
InChIKey INSRYFYIORZBNR-UHFFFAOYNA-N
InChICode InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)40)31(50)57-34-26(47)29-22(43)16(54-34)6-53-32(51)8-3-13(37)20(41)23(44)17(8)18-9(33(52)56-29)4-15(39)28(24(18)45)55-27-10(30(48)49)5-14(38)21(42)25(27)46/h1-5,16,22,26,29,34-47H,6H2,(H,48,49)/t16-,22+,26-,29+,34+/m0/s1
SMILES c12c3c(C(=O)OC[C@H]4[C@H]([C@@H](OC(=O)c1cc(c(c2O)Oc1c(cc(c(c1O)O)O)C(=O)O)O)[C@@H]([C@H](O4)OC(=O)c1cc(c(c(c1)O)O)O)O)O)cc(c(c3O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCunoniaceaeCunonia macrophylla Ref.
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OrganismCunonia macrophylla
ReferenceFogliani,Phytochem.,66,(2005),241