input word = C00014822

Metabolite InformationStructural formula
Name Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside)
Formula C55H61O30
Mw 1201.32476561
CAS RN 799854-14-1
C_ID C00014822 ,
InChIKey SRALQJSERXBZGK-YOSYDBMLNA-O
InChICode InChI=1S/C55H60O30/c1-73-29-9-21(10-30(74-2)41(29)62)5-7-38(59)77-19-36-44(65)47(68)49(70)53(84-36)79-24-15-26(57)25-17-34(82-55-50(71)46(67)43(64)35(18-56)83-55)52(80-28(25)16-24)23-13-27(58)40(61)33(14-23)81-54-51(72)48(69)45(66)37(85-54)20-78-39(60)8-6-22-11-31(75-3)42(63)32(12-22)76-4/h5-17,35-37,43-51,53-56,64-72H,18-20H2,1-4H3,(H4-,57,58,59,60,61,62,63)/p+1/t35-,36+,37-,43-,44-,45-,46+,47+,48+,49+,50-,51-,53-,54-,55-/m1/s1
SMILES COc1cc(/C=C/C(=O)OCC2O[C@@H](Oc3cc(O)c4cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)c(-c5cc(O)c(O)c(O[C@@H]6OC(COC(=O)/C=C/c7cc(OC)c(O)c(OC)c7)[C@@H](O)[C@H](O)C6O)c5)[o+]c4c3)C(O)[C@@H](O)[C@@H]2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrchidaceaeVanda spp. Ref.
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OrganismVanda spp.
ReferenceTatsuzawa,Biochem.Syst.Ecol.,32,(2004),651