input word = C00009374

Metabolite InformationStructural formula
Name Stenophyllanin B
Formula C56H40O31
Mw 1208.15535457
CAS RN 97775-89-8
C_ID C00009374 ,
InChIKey ZQRDOSBLXDFSAI-DPWCRKDLNA-N
InChICode InChI=1S/C56H40O31/c57-18-2-1-12(3-19(18)58)48-26(65)6-14-27(83-48)10-20(59)32(37(14)66)35-34-36-33(45(74)47(76)46(34)75)31-17(9-25(64)41(70)44(31)73)55(80)87-51(50(35)86-56(36)81)49-28(84-52(77)13-4-21(60)38(67)22(61)5-13)11-82-53(78)15-7-23(62)39(68)42(71)29(15)30-16(54(79)85-49)8-24(63)40(69)43(30)72/h1-5,7-10,26,28,35,48-51,57-76H,6,11H2/t26-,28-,35-,48-,49+,50-,51-/m0/s1
SMILES O=C(OC1COC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)O[C@H]1[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)c3c2C(=O)OC1[C@H]3c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus stenophylla Ref.
zoom in