input word = C00006140

Metabolite InformationStructural formula
Name Orientin 2''-acetate
Formula C23H22O12
Mw 490.11112617
CAS RN 71880-89-2
C_ID C00006140 ,
InChIKey BUWALTSLLYTARL-DFJRKEPHNA-N
InChICode InChI=1S/C23H22O12/c1-8(25)33-23-20(32)19(31)16(7-24)35-22(23)18-13(29)5-12(28)17-14(30)6-15(34-21(17)18)9-2-3-10(26)11(27)4-9/h2-6,16,19-20,22-24,26-29,31-32H,7H2,1H3/t16-,19-,20+,22+,23-/m1/s1
SMILES c1(cc(c2c(c1[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C)oc(cc2=O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum hirsutum Ref.
PlantaePolygonaceaeRumex acetosa Ref.
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