input word = C00011072

Metabolite InformationStructural formula
Name Delphinidin 3'-O-(2''-O-galloyl-beta-galactopyranoside)
Formula C28H25O16
Mw 617.11425975
CAS RN 740786-46-3
C_ID C00011072 ,
InChIKey UXXMDNQESOLZEI-VANMISNBNA-O
InChICode InChI=1S/C28H24O16/c29-8-20-23(38)24(39)26(44-27(40)10-2-14(32)21(36)15(33)3-10)28(43-20)42-19-4-9(1-16(34)22(19)37)25-17(35)7-12-13(31)5-11(30)6-18(12)41-25/h1-7,20,23-24,26,28-29,38-39H,8H2,(H7-,30,31,32,33,34,35,36,37,40)/p+1/t20-,23+,24+,26-,28-/m1/s1
SMILES O=C(OC1C(O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(O)c1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNymphaea caerulea Ref.
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OrganismNymphaea caerulea
ReferenceFossen,Phytochem.,50,(1999),1185