input word = C00043248

Metabolite InformationStructural formula
Name Aescuflavoside
Formula C38H48O25
Mw 904.24846709
CAS RN 461432-92-8
C_ID C00043248 ,
InChIKey PSMWEUGAGOGDBM-UTEVKGGKNA-N
InChICode InChI=1S/C38H48O25/c1-10-21(44)26(49)30(53)35(57-10)56-9-19-24(47)28(51)34(63-36-29(52)22(45)15(43)8-55-36)38(61-19)62-33-25(48)20-14(42)5-12(40)6-17(20)58-32(33)11-2-3-13(41)16(4-11)59-37-31(54)27(50)23(46)18(7-39)60-37/h2-6,10,15,18-19,21-24,26-31,34-47,49-54H,7-9H2,1H3/t10-,15+,18+,19+,21-,22-,23-,24-,26+,27-,28-,29+,30+,31+,34+,35+,36-,37+,38-/m0/s1
SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAesculus chinensis Ref.
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