input word = C00019815

Metabolite InformationStructural formula
Name Citrumarin A
Formula C34H34O7
Mw 554.23045344
CAS RN 147816-70-4
C_ID C00019815 ,
InChIKey HWZJQFNBCNCTQJ-UHFFFAOYNA-N
InChICode InChI=1S/C34H34O7/c1-8-32(2,3)27-30-22(11-14-25(36)39-30)29-26-20(17-33(4,5)40-31(26)27)18-34(6,41-29)16-15-21-23(37-7)12-9-19-10-13-24(35)38-28(19)21/h8-16,20H,1,17-18H2,2-7H3/b16-15+/t20-,34-/m0/s1
SMILES c1c(=O)oc2c(c1)c1c3c(c2C(C)(C=C)C)OC(C[C@H]3C[C@@](O1)(/C=C/c1c(ccc2c1oc(=O)cc2)OC)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus hassaku Ref.
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OrganismCitrus hassaku
ReferenceTakemura,Chem. Pharm. Bull.,41,(1993),1530