input word = C00033739

Metabolite InformationStructural formula
Name Cyanidin 3-O-(2-O-beta-xylopyranosyl)-beta-galactopyranoside
Formula C26H29O15
Mw 581.15064526
CAS RN 142506-19-2
C_ID C00033739 ,
InChIKey ZPPQIOUITZSYAO-XLVKHVMHNA-O
InChICode InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20+,21+,22-,24-,25+,26-/m1/s1
SMILES 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
PlantaeApiaceaeDaucus carota Ref.
PlantaeTheaceaeCamellia reticulata Ref.
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