input word = C00014043

Metabolite InformationStructural formula
Name Panzhihuacycaside
Vitexin 6''-O-Rhamnosyl-4'''-O-glucosyl-2'''-O-galactoside
Formula C39H50O24
Mw 902.26920253
CAS RN 441067-48-7
C_ID C00014043 ,
InChIKey DJPJFBBMCXFLON-VRLSHYQRNA-N
InChICode InChI=1S/C39H50O24/c1-11-33(62-37-30(53)27(50)23(46)18(8-40)60-37)32(55)36(63-38-31(54)28(51)24(47)19(9-41)61-38)39(57-11)56-10-20-25(48)26(49)29(52)35(59-20)22-15(44)6-14(43)21-16(45)7-17(58-34(21)22)12-2-4-13(42)5-3-12/h2-7,11,18-20,23-33,35-44,46-55H,8-10H2,1H3/t11-,18-,19-,20-,23+,24-,25+,26-,27-,28-,29+,30+,31-,32+,33-,35-,36-,37-,38-,39+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)C(O)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)C(O)[C@H]1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCycadaceaeCycas panzhihuaensis Ref.
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