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.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeMyrtaceaeSyzygium cumini Ref.
PlantaePlantaginaceaePlantago asiatica Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
PlantaeTaxaceaeTaxus baccata Ref.
--FOOD SAKE Ref.
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