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 aurantium Ref.
PlantaeRutaceaeCitrus grandis Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeEremocitrus spp. Ref.
PlantaeRutaceaeMicrocitrus spp. Ref.
PlantaeRutaceaePoncirus trifoliata Ref.
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