input word = C00006253

Metabolite InformationStructural formula
Name Orientin 3'-O-glucoside
Formula C27H30O16
Mw 610.15338491
CAS RN 85708-47-0
C_ID C00006253 ,
InChIKey OZJFOFZXKAKIPU-HQORTFQONA-N
InChICode InChI=1S/C27H30O16/c28-6-15-19(34)21(36)23(38)26(41-15)18-11(32)4-10(31)17-12(33)5-13(40-25(17)18)8-1-2-9(30)14(3-8)42-27-24(39)22(37)20(35)16(7-29)43-27/h1-5,15-16,19-24,26-32,34-39H,6-7H2/t15-,16+,19+,20+,21-,22+,23+,24+,26-,27+/m0/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)oc(cc2=O)c1cc(c(cc1)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeLupinus spp. Ref.
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