input word = C00006162

Metabolite InformationStructural formula
Name Orientin 2'',6''-diacetate
Formula C25H24O13
Mw 532.12169086
CAS RN 131507-99-8
C_ID C00006162 ,
InChIKey IOPSQVHEVILLRN-OQGDEMCQNA-N
InChICode InChI=1S/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3/t18-,21+,22-,24-,25+/m0/s1
SMILES c1(cc(c2c(c1[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1OC(=O)C)O)O)COC(=O)C)oc(cc2=O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRumex acetosa Ref.
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