input word = C00000970

Metabolite InformationStructural formula
Name Hesperidin
Formula C28H34O15
Mw 610.18977042
CAS RN 520-26-3
C_ID C00000970 ,
InChIKey QUQPHWDTPGMPEX-IGGWMNTDNA-N
InChICode InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19-,21-,22+,23+,24-,25-,26+,27+,28+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1cc(c(cc1)OC)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis magellanica Ref.
PlantaeAsteraceaeVernonia spp. Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeEphedraceaeEphedra sinica Ref.
PlantaeLabiataeHyssopus spp. Ref.
PlantaeLabiataeMentha longifolia Ref.
PlantaeLabiataeMentha spp. Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeMoraceaeFicus beecheyana Ref.
PlantaeRutaceaeCitrus aurantium L. var. amara Ref.
PlantaeRutaceaeCitrus natsudaidai Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus unshiu Markovich Ref.
PlantaeRutaceaeEsenbeckia yaxhoob Lundell Ref.
PlantaeRutaceaeFlindersia laevicarpa C.T.White et Francis. Ref.
PlantaeRutaceaePoncirus trifoliata Ref.
PlantaeRutaceaeZanthoxylum dipetalum Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
--Rutaceae Ref.
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