input word = C00044350

Metabolite InformationStructural formula
Name Toddasiatin
Formula C30H26O8
Mw 514.16276781
CAS RN 189295-03-2
C_ID C00044350 ,
InChIKey BLTGXURRTDMAEA-UHFFFAOYSA-N
InChICode InChI=1S/C30H26O8/c1-29(2)9-7-17-23-15(13-21(33-5)25(17)37-29)11-19(27(31)35-23)20-12-16-14-22(34-6)26-18(24(16)36-28(20)32)8-10-30(3,4)38-26/h7-14H,1-6H3
SMILES COc1cc2cc(-c3cc4cc(OC)c5c(c4oc3=O)C=CC(C)(C)O5)c(=O)oc2c2c1OC(C)(C)C=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeToddalia asiatica Ref.
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