input word = C00014105

Metabolite InformationStructural formula
Name 2''-O-(2'''-Methylbutyryl)orientin
Orientin 2''-O-(2'''-methylbutyrate)
Formula C26H28O12
Mw 532.15807636
CAS RN 681152-44-3
C_ID C00014105 ,
InChIKey IXJHFORJGDOBHK-JKKQDOPLNA-N
InChICode InChI=1S/C26H28O12/c1-3-10(2)26(35)38-25-22(34)21(33)18(9-27)37-24(25)20-15(31)7-14(30)19-16(32)8-17(36-23(19)20)11-4-5-12(28)13(29)6-11/h4-8,10,18,21-22,24-25,27-31,33-34H,3,9H2,1-2H3/t10-,18-,21-,22+,24+,25-/m1/s1
SMILES CCC(C)C(=O)OC1[C@@H](O)[C@H](O)C(CO)O[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeTrollius ledebouri Ref.
PlantaeRanunculaceaeTrollius ledebourii Ref.
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OrganismTrollius ledebourii
ReferenceZou, et al., Journal of Natural Products, 67, (2004), 664