input word = C00014098

Metabolite InformationStructural formula
Name Isoorientin 2''-O-gallate
Formula C28H24O15
Mw 600.1115201
CAS RN 438000-11-4
C_ID C00014098 ,
InChIKey KSIULUAZHQTOJC-TWOYCMSONA-N
InChICode InChI=1S/C28H24O15/c29-8-19-23(37)25(39)27(43-28(40)10-4-15(34)22(36)16(35)5-10)26(42-19)21-14(33)7-18-20(24(21)38)13(32)6-17(41-18)9-1-2-11(30)12(31)3-9/h1-7,19,23,25-27,29-31,33-39H,8H2/t19-,23-,25+,26+,27-/m1/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)c1cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeGeraniaceaePelargonium sidoides Ref.
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OrganismPelargonium reniforme
ReferenceLatte,Phytochem.,59,(2002),419