input word = C00011070

Metabolite InformationStructural formula
Name Petunidin 3-sambubioside
Petunidin 3-O-beta-D-sambubioside
Petunidin 3-(2-xylosylglucoside)
Formula C27H31O16
Mw 611.16120995
CAS RN 260256-24-4
C_ID C00011070 ,
InChIKey GUVCTUQWASBOTK-RWVBVSHHNA-O
InChICode InChI=1S/C27H30O16/c1-38-16-3-9(2-13(31)19(16)33)24-17(6-11-12(30)4-10(29)5-15(11)40-24)41-27-25(22(36)21(35)18(7-28)42-27)43-26-23(37)20(34)14(32)8-39-26/h2-6,14,18,20-23,25-28,32,34-37H,7-8H2,1H3,(H3-,29,30,31,33)/p+1/t14-,18+,20+,21+,22-,23+,25+,26+,27+/m0/s1
SMILES c1(c2c(cc(c1)O)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)c1cc(c(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeocarpaceaeElaeocarpus mastersii Ref.
PlantaeEricaceaeVaccinium padifolium Ref.
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