input word = C00047911

Metabolite InformationStructural formula
Name Granatumin D
(-)-Granatumin D
Formula C32H42O8
Mw 554.28796832
CAS RN 1196685-60-5
C_ID C00047911 ,
InChIKey UEGIMPBBSWHIII-RNEKILNTNA-N
InChICode InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12,16,19-23,27-28H,9,11,13-15H2,1-7H3/b17-8+/t19-,20?,21-,22-,23-,27-,28+,31+,32-/m0/s1
SMILES [C@@H]1(C([C@@H]([C@@]2([C@@H]3[C@H](C[C@@H]1C2=O)[C@H]1[C@@](CC3)([C@@H](OC(=O)C1)c1ccoc1)C)C)CC(=O)OC)(C)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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