input word = C00014104

Metabolite InformationStructural formula
Name Orientin 2''-O-gallate
Formula C28H24O15
Mw 600.1115201
CAS RN 438000-12-5
C_ID C00014104 ,
InChIKey KVXWWRLZEGVWRD-IGMQVJLDNA-N
InChICode InChI=1S/C28H24O15/c29-8-19-23(38)24(39)27(43-28(40)10-4-16(35)22(37)17(36)5-10)26(42-19)21-14(33)6-13(32)20-15(34)7-18(41-25(20)21)9-1-2-11(30)12(31)3-9/h1-7,19,23-24,26-27,29-33,35-39H,8H2/t19-,23-,24+,26+,27-/m1/s1
SMILES O=C(OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium reniforme Ref.
PlantaeGeraniaceaePelargonium sidoides Ref.
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