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.
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