input word = C00052078

Metabolite InformationStructural formula
Name (+)-Dioxinoacrimarine A
Formula C29H23NO8
Mw 513.14236672
CAS RN 158182-14-9
C_ID C00052078
InChIKey AEXHLHGCDOTWGS-ZHACJKMWSA-N
InChICode InChI=1S/C29H23NO8/c1-29(11-10-17-20(31)7-4-15-5-9-23(33)37-27(15)17)14-36-28-22(38-29)8-6-18-25(28)30(2)19-12-16(35-3)13-21(32)24(19)26(18)34/h4-13,31-32H,14H2,1-3H3/b11-10+
SMILES COc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OCC(C)(/C=C/c1c(O)ccc2ccc(=O)oc12)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hybrid ''Yalaha'' Ref.
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