input word = C00053269

Metabolite InformationStructural formula
Name Granatin A
Formula C34H24O23
Mw 800.07083708
CAS RN 73683-70-2
C_ID C00053269
InChIKey GABPOUZTDZVVOE-KGIBFTNOSA-N
InChICode InChI=1S/C34H24O23/c35-10-1-6-15(22(42)19(10)39)16-7(2-11(36)20(40)23(16)43)30(47)56-32-27-24(44)25(13(53-32)5-52-28(6)45)54-29(46)8-3-12(37)21(41)26-17(8)18-9(31(48)55-27)4-14(38)34(51,57-26)33(18,49)50/h1-4,13,18,24-25,27,32,35-37,39-44,49-51H,5H2/t13-,18?,24?,25+,27-,32-,34?/m1/s1
SMILES OC1=C(O)C(O)=CC(C(OC[C@@H]2[C@@H](C(O)[C@H]3OC(C(C4C5=C6C=C(O)C(O)=C5OC7(O)C4(O)O)=CC7=O)=O)OC6=O)=O)=C1C(C(O)=C(O)C(O)=C8)=C8C(O[C@H]3O2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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