input word = C00036666

Metabolite InformationStructural formula
Name 8-O-Acetyl-6-O-trans-p-coumaroylshanzhiside
Formula C27H32O14
Mw 580.17920573
CAS RN 379269-63-3
C_ID C00036666 ,
InChIKey XORDQNURMWOOGO-CYCXAVAFNA-N
InChICode InChI=1S/C27H32O14/c1-12(29)41-27(2)9-16(38-18(31)8-5-13-3-6-14(30)7-4-13)19-15(24(35)36)11-37-25(20(19)27)40-26-23(34)22(33)21(32)17(10-28)39-26/h3-8,11,16-17,19-23,25-26,28,30,32-34H,9-10H2,1-2H3,(H,35,36)/b8-5+/t16-,17-,19+,20-,21+,22+,23-,25+,26+,27+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)[C@@](C[C@H]2OC(=O)/C=C/c1ccc(cc1)O)(C)OC(=O)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria lupulina Ref.
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OrganismBarleria lupulina
ReferenceKanchanapoom,Phytochem.,58,(2001),337