input word = C00001145

Metabolite InformationStructural formula
Name Raffinose
Formula C18H32O16
Mw 504.16903498
CAS RN 512-69-6
C_ID C00001145 ,
InChIKey MUPFEKGTMRGPLJ-WZHGAKAXNA-N
InChICode InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+/m1/s1
SMILES [C@H]1([C@@H]([C@H]([C@H](O[C@@H]1CO)OC[C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]1([C@@H]([C@H]([C@H](O1)CO)O)O)CO)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeCaricaceaeCarica papaya Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeBrassica oleracea L. ssp. Botrytis Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeLupinus albus Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeMyrtaceaeSyzygium cumini Ref.
PlantaePlantaginaceaePlantago asiatica Ref.
PlantaePoaceaeTriticum aestivum Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeTaxaceaeTaxus baccata Ref.
--Caffea sp. Ref.
--FOOD SAKE Ref.
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