input word = C00033288

Metabolite InformationStructural formula
Name Parameritannin A2
Formula C60H46O24
Mw 1150.2379024
CAS RN 347406-56-8
C_ID C00033288 ,
InChIKey ZEYQBFDUFXKGFS-DEJHFIPJNA-N
InChICode InChI=1S/C60H46O24/c61-23-13-35(72)41-39(15-23)81-59(21-3-7-28(65)33(70)11-21)57(77)45(41)48-54-47(55-49(56(48)84-59)46-42-36(73)14-24(62)16-40(42)82-60(83-55,58(46)78)22-4-8-29(66)34(71)12-22)44(50(76)52(80-54)20-2-6-27(64)32(69)10-20)43-37(74)18-30(67)25-17-38(75)51(79-53(25)43)19-1-5-26(63)31(68)9-19/h1-16,18,38,44-46,50-52,57-58,61-78H,17H2/t38-,44+,45?,46-,50-,51-,52-,57-,58-,59-,60-/m1/s1
SMILES [C@H]12[C@H]([C@@](c3cc(c(cc3)O)O)(Oc3c1c1c([C@@H]4[C@H]([C@](O1)(c1cc(c(cc1)O)O)Oc1c4c(cc(c1)O)O)O)c1c3[C@@H]([C@H]([C@H](O1)c1cc(c(cc1)O)O)O)c1c3c(c(cc1O)O)C[C@H]([C@H](O3)c1cc(c(cc1)O)O)O)Oc1c2c(cc(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeParameria laevigata MOLDENKE Ref.
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OrganismParameria laevigata MOLDENKE
ReferenceKamiya,Chem.Pharm.Bull.,49,(2001),551