input word = C00054537

Metabolite InformationStructural formula
Name 2-Cinnamoyl-1,6-digalloylglucose
Formula C29H26O15
Mw 614.12717016
CAS RN 94356-17-9
C_ID C00054537
InChIKey AKNNKSLRUQXXCZ-MUZYTARRSA-N
InChICode InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)41-12-20-24(37)25(38)26(43-21(34)7-6-13-4-2-1-3-5-13)29(42-20)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+/t20-,24-,25+,26-,29+/m1/s1
SMILES O=C(/C=C/c1ccccc1)O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
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