input word = C00059481

Metabolite InformationStructural formula
Name Hainangranatumin B
Formula C32H40O10
Mw 584.2621475
CAS RN 1248571-15-4
C_ID C00059481
InChIKey IZXHDVJPKHTNGR-GNLYTTOSSA-N
InChICode InChI=1S/C32H40O10/c1-8-17(2)29(37)42-28(20-15-30(4,5)21(13-24(34)39-7)18(3)26(20)36)32(38)22-14-25(35)41-27(19-10-12-40-16-19)31(22,6)11-9-23(32)33/h10,12,14-18,21,27-28,38H,8-9,11,13H2,1-7H3/t17-,18+,21+,27-,28+,31+,32-/m0/s1
SMILES CCC(C)C(=O)OC(C1=CC(C)(C)C(CC(=O)OC)C(C)C1=O)C1(O)C(=O)CCC2(C)C1=CC(=O)OC2c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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