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
PlantaeAlliaceaeAllium sativum Ref.
PlantaeAsteraceaeBaccharis magellanica Ref.
PlantaeAsteraceaeVernonia spp. Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCucurbitaceaeMomordica charantia Ref.
PlantaeEphedraceaeEphedra sinica Ref.
PlantaeFagaceaeCastanea sativa Ref.
PlantaeLabiataeHyssopus spp. Ref.
PlantaeLabiataeMentha longifolia Ref.
PlantaeLabiataeMentha spp. Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMoraceaeFicus beecheyana Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
PlantaeRutaceaeCitrus aurantium L. var. amara Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus natsudaidai Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus sinensis 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.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTurneraceaeTurnera ulmifolia Ref.
PlantaeVerbenaceaeVerbena bipinnatifida Ref.
PlantaeVerbenaceaeVerbena hybrida Ref.
--Rutaceae Ref.
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OrganismAllium sativum
Referencehttps://doi.org/10.14233/ajchem.2014.16143A