input word = C00006637

Metabolite InformationStructural formula
Name Pelargonidin 3-gentiobioside
Formula C27H31O15
Mw 595.16629532
CAS RN 103102-91-6
C_ID C00006637 ,
InChIKey FFLWSYWCEZNCNG-MZRMCOTFNA-O
InChICode InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)38-9-18-20(33)22(35)24(37)27(42-18)40-16-7-13-14(31)5-12(30)6-15(13)39-25(16)10-1-3-11(29)4-2-10/h1-7,17-24,26-28,32-37H,8-9H2,(H2-,29,30,31)/p+1/t17-,18-,19-,20-,21-,22-,23+,24-,26-,27-/m1/s1
SMILES OCC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraceaeAnchomanes abbreviatus Ref.
PlantaeIridaceaeTritonia spp. Ref.
PlantaePrimulaceaePrimula sp. Ref.
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OrganismAnchomanes abbreviatus
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 1,Anthocyanins

Harborne,Phytochem.,2,(1963),85

Williams,Phytochem.,20,(1981),217