input word = C00009281

Metabolite InformationStructural formula
Name Pavetannin A1
Formula C30H24O12
Mw 576.12677623
CAS RN 159247-89-9
C_ID C00009281 ,
InChIKey NSEWTSAADLNHNH-YWEQTYSCNA-N
InChICode InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26+,27-,29+,30-/m1/s1
SMILES c1c(cc(c2c1O[C@]1([C@H]([C@@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H](C1)O)c1cc(c(cc1)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePavetta owariensis Ref.
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