input word = C00011122

Metabolite InformationStructural formula
Name 2''-O-Feruloylorientin
Formula C31H28O14
Mw 624.14790561
CAS RN 861691-33-0
C_ID C00011122 ,
InChIKey DLYIGTJKJDNXEZ-DSJZGYJBNA-N
InChICode InChI=1S/C31H28O14/c1-42-22-8-13(2-5-16(22)34)3-7-24(39)45-31-28(41)27(40)23(12-32)44-30(31)26-19(37)10-18(36)25-20(38)11-21(43-29(25)26)14-4-6-15(33)17(35)9-14/h2-11,23,27-28,30-37,40-41H,12H2,1H3/b7-3+/t23-,27-,28+,30+,31-/m1/s1
SMILES c1(c2c(c(cc1O)O)c(=O)cc(o2)c1ccc(c(c1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeTrollius ledebouri Ref.
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