input word = C00054465

Metabolite InformationStructural formula
Name Citrusin A
Formula C26H34O12
Mw 538.20502655
CAS RN 105279-09-2
C_ID C00054465
InChIKey BANUTZKQQSAAIC-RPSUPKHOSA-N
InChICode InChI=1S/C26H34O12/c1-34-16-7-5-14(4-3-9-27)10-19(16)36-20(12-28)22(30)15-6-8-17(18(11-15)35-2)37-26-25(33)24(32)23(31)21(13-29)38-26/h3-8,10-11,20-33H,9,12-13H2,1-2H3/b4-3+/t20-,21-,22-,23-,24+,25-,26-/m1/s1
SMILES OC/C=C/C1=CC=C(OC)C(O[C@H](CO)[C@H](O)C2=CC(OC)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaePedicularis alaschanica Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeFortunella japonica Ref.
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OrganismFortunella japonica
ReferenceFreudenberg, K. et al., Chem. Ber., 1955, 88, 617-625

626-633 (di-Me ether, synth, uv, ir)