input word = C00058235

Metabolite InformationStructural formula
Name 2',3,5-Tri-O-galloylhamamelofuranose
Formula C27H24O18
Mw 636.09626397
CAS RN 86588-94-5
C_ID C00058235
InChIKey NEKFCXXOFWKFJA-AUZMWRNASA-N
InChICode InChI=1S/C27H24O18/c28-8-27(42,9-44-25(40)11-3-15(31)21(37)16(32)4-11)23(45-26(41)12-5-17(33)22(38)18(34)6-12)19(35)7-43-24(39)10-1-13(29)20(36)14(30)2-10/h1-6,8,19,23,29-38,42H,7,9H2/t19-,23-,27-/m1/s1
SMILES O=C[C@@](O)(COC(=O)c1cc(O)c(O)c(O)c1)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea crenata Ref.
PlantaeRosaceaeSanguisorba officinalis Ref.
zoom in



OrganismSanguisorba officinalis
ReferenceShafizadeh, F.Adv. Carbohydr. Chem., 1956, 11, 263-283 (occur, rev)