input word = C00006729

Metabolite InformationStructural formula
Name Petunidin 3-rhamnoside-5-glucoside
Formula C28H33O16
Mw 625.17686001
CAS RN 53925-30-7
C_ID C00006729 ,
InChIKey FMIONHNHIFPJRO-MMDDTWTONA-O
InChICode InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)43-17-7-12-14(41-26(17)10-3-13(31)20(33)16(4-10)39-2)5-11(30)6-15(12)42-28-25(38)23(36)21(34)18(8-29)44-28/h3-7,9,18-19,21-25,27-29,32,34-38H,8H2,1-2H3,(H2-,30,31,33)/p+1/t9-,18-,19-,21+,22+,23-,24-,25+,27+,28+/m0/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1cc(c(c(c1)OC)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCicer pinnatifidum Ref.
PlantaeFabaceaeLathyrus spp. Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaeVicia spp. Ref.
PlantaeFabaceaeWisteria brachybotrys Ref.
PlantaePlumbaginaceaeLimonium spp. Ref.
PlantaeVitaceaeAmpelopsis brevipedunculata Ref.
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