input word = C00055087

Metabolite InformationStructural formula
Name Chesnatin
Formula C27H26O18
Mw 638.11191403
CAS RN 68735-76-2
C_ID C00055087
InChIKey XNGJTVXWNURNOS-OPVSPXBJSA-N
InChICode InChI=1S/C27H26O18/c28-6-16-19(35)20(36)22(38)27(44-16)45-24-13(31)1-8(2-14(24)32)7-42-26(41)10-5-12(30)18(34)21(37)23(10)43-15-4-9(25(39)40)3-11(29)17(15)33/h1-5,16,19-20,22,27-38H,6-7H2,(H,39,40)/t16-,19-,20+,22-,27+/m1/s1
SMILES O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)OCc3cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3)cc(O)c(O)c2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea crenata Ref.
PlantaeFagaceaeCastanea mollissima Ref.
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