input word = C00000995

Metabolite InformationStructural formula
Name Poncirin
Isosakuranetin-7-O-beta-D-neohesperidoside
Formula C28H34O14
Mw 594.1948558
CAS RN 14941-08-3
C_ID C00000995 ,
InChIKey NLAWPKPYBMEWIR-HHPLIBILNA-N
InChICode InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19-,21-,22+,23?,24-,25+,26-,27-,28+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1ccc(cc1)OC)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeAcinos spp. Ref.
PlantaeLamiaceaeCalamintha nepeta Ref.
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeEremocitrus spp. Ref.
PlantaeRutaceaeMicrocitrus spp. Ref.
PlantaeRutaceaePoncirus trifoliata Ref.
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OrganismCitrus grandis
ReferenceEdited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Park, et al., Planta Med, 71, (2005), 24