input word = C00042657

Metabolite InformationStructural formula
Name Kurigalin
(+)-Kurigalin
Formula C27H24O18
Mw 636.09626397
CAS RN 91573-80-7
C_ID C00042657 ,
InChIKey XIOBKZGXHBXTMP-CTHLQADANA-N
InChICode InChI=1S/C27H24O18/c28-8-27(45-26(42)12-5-17(33)22(38)18(34)6-12,9-44-25(41)11-3-15(31)21(37)16(32)4-11)23(39)19(35)7-43-24(40)10-1-13(29)20(36)14(30)2-10/h1-6,8,19,23,29-39H,7,9H2/t19-,23-,27-/m1/s1
SMILES c1c(cc(c(c1O)O)O)C(=O)OC[C@H]([C@H]([C@](OC(=O)c1cc(c(c(c1)O)O)O)(COC(=O)c1cc(c(c(c1)O)O)O)C=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea crenata Ref.
PlantaeFagaceaeCastanea sativa Mill. Ref.
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OrganismCastanea crenata
ReferenceShafizadeh,F.Adv.Carbohydr.Chem.,11,(1956),263-283