input word = C00000987

Metabolite InformationStructural formula
Name Neohesperidin
Formula C28H34O15
Mw 610.18977042
CAS RN 13241-33-3
C_ID C00000987 ,
InChIKey ARGKVCXINMKCAZ-XFXPFWQJNA-N
InChICode InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17+,19-,21+,22-,23+,24+,25-,26-,27+,28-/m1/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)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
PlantaeAsteraceaeStevia rebaudiana Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeRutaceaeCitrus aurantium Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeRutaceaeCitrus paradisi Ref.
PlantaeRutaceaeCitrus reticulata Ref.
PlantaeRutaceaeCitrus spp. Ref.
PlantaeRutaceaeCitrus sudachi Ref.
PlantaeRutaceaeCitrus unshiu Ref.
PlantaeRutaceaePoncirus trifoliata Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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OrganismCitrus reticulata
Referencehttps://doi.org/10.1016/j.jpba.2019.03.056

https://doi.org/10.3390/molecules22071114