input word = C00009057

Metabolite InformationStructural formula
Name 3,5,7,4'-Tetrahydroxyflavan-(4->8)-3,4,5,7,4'-pentahydroxyflavan
Formula C30H26O11
Mw 562.14751167
CAS RN 16280-12-9
C_ID C00009057 ,
InChIKey GZSNFJSXHWRJHQ-UHFFFAOYNA-N
InChICode InChI=1S/C30H26O11/c31-14-5-1-12(2-6-14)28-26(38)24(21-17(34)9-16(33)10-20(21)40-28)22-18(35)11-19(36)23-25(37)27(39)29(41-30(22)23)13-3-7-15(32)8-4-13/h1-11,24-29,31-39H/t24-,25+,26+,27+,28-,29-/m0/s1
SMILES c12c([C@H]([C@H]([C@@H](O1)c1ccc(cc1)O)O)c1c3c([C@H]([C@H]([C@@H](O3)c3ccc(cc3)O)O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia chinensis Ref.
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