input word = C00058397

Metabolite InformationStructural formula
Name Carpinusin
Formula C41H28O27
Mw 952.0817957
CAS RN 130036-75-8
C_ID C00058397
InChIKey GZIMCIFMXMTKDS-KQYJSMIQSA-N
InChICode InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-36(56)11-5-17(46)27(51)31-22(11)23-12(38(58)64-30)6-19(47)41(61,68-31)40(23,59)60/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30+,32+,33+,39?,41?/m0/s1
SMILES O=C1O[C@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O4)C3(O)O)C1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@@H]2O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeCarpinus axiflora Ref.
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
zoom in



OrganismCarpinus axiflora
ReferenceG. Nonaka et al., Chem. Abs., (1992), 117, 66600.