input word = C00033742

Metabolite InformationStructural formula
Name Cyanidin 3-O-(2-O-beta-xylopyranosyl-6-O-acetyl)-beta-galactopyranoside
Formula C28H31O16
Mw 623.16120995
CAS RN 1104327-92-5
C_ID C00033742 ,
InChIKey UCXVISAAKKHFGU-MYEJVXOINA-O
InChICode InChI=1S/C28H30O16/c1-10(29)39-9-20-22(36)23(37)26(44-27-24(38)21(35)17(34)8-40-27)28(43-20)42-19-7-13-15(32)5-12(30)6-18(13)41-25(19)11-2-3-14(31)16(33)4-11/h2-7,17,20-24,26-28,34-38H,8-9H2,1H3,(H3-,30,31,32,33)/p+1/t17-,20-,21+,22+,23+,24-,26-,27+,28-/m1/s1
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia reticulata Ref.
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OrganismCamellia reticulata
ReferenceLi,Phytochem.,69,(2008),3166