input word = C00058255

Metabolite InformationStructural formula
Name 1,2',3,5-Tetra-O-galloylhamamelofuranose
Formula C34H28O22
Mw 788.10722258
CAS RN 90276-00-9
C_ID C00058255
InChIKey ROGCBAYDUGZLLG-IOGHVXJDSA-N
InChICode InChI=1S/C34H28O22/c35-15-1-11(2-16(36)24(15)43)29(47)52-9-23-28(55-31(49)13-5-19(39)26(45)20(40)6-13)34(51,10-53-30(48)12-3-17(37)25(44)18(38)4-12)33(54-23)56-32(50)14-7-21(41)27(46)22(42)8-14/h1-8,23,28,33,35-46,51H,9-10H2/t23-,28-,33?,34-/m1/s1
SMILES O=C(OC[C@H]1OC(OC(=O)c2cc(O)c(O)c(O)c2)[C@@](O)(COC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea crenata Ref.
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