input word = C00006878

Metabolite InformationStructural formula
Name Delphinidin 3-(6''-p-coumarylglucoside)
Formula C30H27O14
Mw 611.14008057
CAS RN 136031-08-8,51939-70-9
C_ID C00006878 ,
InChIKey DHTPVCYNNWQRMN-VHDDIHCPNA-O
InChICode InChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,26-,27+,28-,30-/m1/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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