input word = C00006711

Metabolite InformationStructural formula
Name Delphinidin 3,7-diglucoside
Formula C27H31O17
Mw 627.15612457
CAS RN 64963-56-0
C_ID C00006711 ,
InChIKey JVROXMCODLRLLV-JHPRFTIFNA-O
InChICode InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)40-9-3-11(30)10-5-15(42-27-24(39)22(37)20(35)17(7-29)44-27)25(41-14(10)4-9)8-1-12(31)18(33)13(32)2-8/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeocarpaceaeAristotelia fruticosa Ref.
PlantaeIridaceaeCrocus antalyensis Ref.
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OrganismCrocus antalyensis
ReferenceNorbaek,Phytochem.,50,(1999),325