input word = C00058254

Metabolite InformationStructural formula
Name 1,2',5-Tri-O-galloylhamamelofuranose
Formula C27H24O18
Mw 636.09626397
CAS RN 90275-99-3
C_ID C00058254
InChIKey LSTGMXWAKWGYPI-MJXKLJOQSA-N
InChICode InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(41,8-43-24(39)10-3-14(30)20(35)15(31)4-10)26(44-18)45-25(40)11-5-16(32)21(36)17(33)6-11/h1-6,18,22,26,28-37,41H,7-8H2/t18-,22-,26?,27-/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]1O)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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OrganismCastanea crenata
ReferenceShafizadeh, F.Adv. Carbohydr. Chem., 1956, 11, 263-283 (occur, rev)