input word = C00035376

Metabolite InformationStructural formula
Name Pterocaryanin C
Formula C41H30O26
Mw 938.10253114
CAS RN 113900-71-3
C_ID C00035376 ,
InChIKey VGPJDICYWIEKOF-UHFFFAOYNA-N
InChICode InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)62-9-23-33(64-37(58)11-3-17(44)27(51)18(45)4-11)34-35(41(63-23)67-38(59)12-5-19(46)28(52)20(47)6-12)66-40(61)14-8-22(49)30(54)32(56)25(14)24-13(39(60)65-34)7-21(48)29(53)31(24)55/h1-8,23,33-35,41-56H,9H2/t23-,33+,34-,35-,41+/m1/s1
SMILES [C@@H]1(O[C@H]([C@H]2[C@@H]([C@H]1OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1c(c3c(C(=O)O2)cc(c(c3O)O)O)c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeMonochaetum malabathuricum Ref.
PlantaeMelastomataceaeMonochaetum multiflorum Ref.
PlantaeMelastomataceaeMonochaetum normale Ref.
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