input word = C00014844

Metabolite InformationStructural formula
Name 6-Hydroxypelargonidin 3-rutinoside
Formula C27H31O15
Mw 595.16629532
CAS RN 554450-50-9
C_ID C00014844 ,
InChIKey XIDHXEBXMRVDTC-ZVZHGSOINA-O
InChICode InChI=1S/C27H30O15/c1-9-17(30)21(34)23(36)26(39-9)38-8-16-20(33)22(35)24(37)27(42-16)41-15-6-12-14(7-13(29)19(32)18(12)31)40-25(15)10-2-4-11(28)5-3-10/h2-7,9,16-17,20-24,26-27,30,33-37H,8H2,1H3,(H3-,28,29,31,32)/p+1/t9-,16-,17+,20-,21-,22+,23+,24-,26-,27-/m1/s1
SMILES c1(c(c(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlstroemeriaceaeAlstroemeria spp. Ref.
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