input word = C00049290

Metabolite InformationStructural formula
Name Rhoipteleanin H
Carpinerin B
Formula C42H30O27
Mw 966.09744576
CAS RN 223116-00-5
C_ID C00049290 ,
InChIKey SLFBWCUUJQOGFT-UHFFFAOYNA-N
InChICode InChI=1S/C42H30O27/c1-64-41(62)42(63)23-20-11(6-16(47)27(51)30(20)54)39(60)69-34(33-31(55)22(35(42)56)21(23)40(61)68-33)32-17(66-36(57)8-2-12(43)24(48)13(44)3-8)7-65-37(58)9-4-14(45)25(49)28(52)18(9)19-10(38(59)67-32)5-15(46)26(50)29(19)53/h2-6,17,23,31-34,43-55,63H,7H2,1H3/t17-,23-,31-,32-,33+,34-,42-/m1/s1
SMILES c12c(cc(c(c1O)O)O)C(=O)O[C@H]([C@@H](COC(=O)c1c2c(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)[C@@H]1[C@H]2OC(=O)C3=C([C@H]2O)C(=O)[C@]([C@@H]3c2c(C(=O)O1)cc(c(c2O)O)O)(C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhoipteleaceaeRhoiptelea chiliantha Ref.
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