input word = C00005596

Metabolite InformationStructural formula
Name Tamarixetin 3-rutinoside
Formula C28H32O16
Mw 624.16903498
CAS RN 20550-05-4
C_ID C00005596 ,
InChIKey KEIZXGINFPDITQ-JLQPFEQCNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-14(39-2)12(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16-,18+,19+,21+,22+,23-,24-,27-,28+/m1/s1
SMILES COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)cc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeFlyriella parryi Ref.
PlantaeFabaceaeAlbizia amara Ref.
PlantaeSapindaceaeLitchi chinensis Ref.
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OrganismLitchi chinensis
ReferenceGupta,S.R.et al.,JCS,(1954),3063-3065