input word = C00057484

Metabolite InformationStructural formula
Name Resveratrol 4'-(6-galloylglucoside)
Formula C27H26O12
Mw 542.1424263
CAS RN 64898-03-9
C_ID C00057484
InChIKey HQQSMUBDNVIUPF-XMPPFBFMSA-N
InChICode InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27-/m1/s1
SMILES O=C(OC[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum spp. Ref.
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