input word = C00006208

Metabolite InformationStructural formula
Name Isoorientin 2''-O-rhamnoside
Formula C27H30O15
Mw 594.15847029
CAS RN 50980-94-4
C_ID C00006208 ,
InChIKey IUYFTHKQEWZTHY-YCTCAJGRNA-N
InChICode InChI=1S/C27H30O15/c1-8-19(33)22(36)24(38)27(39-8)42-26-23(37)20(34)16(7-28)41-25(26)18-13(32)6-15-17(21(18)35)12(31)5-14(40-15)9-2-3-10(29)11(30)4-9/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22-,23-,24+,25-,26+,27-/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene alba Ref.
PlantaeFabaceaeCoronilla varia Ref.
PlantaePassifloraceaePassiflora biflora Ref.
PlantaePoaceaeCymbopogon citratus Ref.
PlantaeRosaceaeCrataegus spp. Ref.
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