input word = C00014832

Metabolite InformationStructural formula
Name Pelargonidin 3,7-di-glucoside
Formula C27H31O15
Mw 595.16629532
CAS RN 102521-86-8
C_ID C00014832 ,
InChIKey WPXSQNMAMZEQBN-RGYCUIIVNA-O
InChICode InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-12-5-14(31)13-7-16(40-27-24(37)22(35)20(33)18(9-29)42-27)25(39-15(13)6-12)10-1-3-11(30)4-2-10/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24+,26-,27-/m1/s1
SMILES OCC1O[C@@H](Oc2cc(O)c3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(-c4ccc(O)cc4)[o+]c3c2)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium hybridum Ref.
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