input word = C00015280

Metabolite InformationStructural formula
Name 3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Formula C27H26O13
Mw 558.13734092
CAS RN 886060-55-5
C_ID C00015280 ,
InChIKey HZCOWROLPVDVCR-INRWNPMZNA-N
InChICode InChI=1S/C27H26O13/c28-15-5-13(2-1-12-3-4-17(29)18(30)7-12)6-16(10-15)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-19(31)22(33)20(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1
SMILES c1c(c(cc(c1)/C=C/c1cc(cc(c1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum spp. Ref.
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