input word = C00043249

Metabolite InformationStructural formula
Name Aescuflavoside A
(-)-Aescuflavoside A
Formula C33H40O21
Mw 772.20620834
CAS RN 694489-77-5
C_ID C00043249 ,
InChIKey LXYLKQLCIVSEGM-UFFXGWEQNA-N
InChICode InChI=1S/C33H40O21/c1-47-14-3-2-10(4-15(14)50-32-27(46)24(43)21(40)17(7-34)51-32)28-29(23(42)19-12(37)5-11(36)6-16(19)49-28)53-33-30(25(44)22(41)18(8-35)52-33)54-31-26(45)20(39)13(38)9-48-31/h2-6,13,17-18,20-22,24-27,30-41,43-46H,7-9H2,1H3/t13-,17-,18-,20+,21+,22+,24+,25+,26-,27-,30-,31+,32-,33+/m1/s1
SMILES COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1O[C@@H]1O[C@H](CO)[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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