input word = C00059487

Metabolite InformationStructural formula
Name Hainangranatumin I
Formula C30H36O10
Mw 556.23084737
CAS RN 1248571-25-6
C_ID C00059487
InChIKey NIOKVQMQOWKZTF-INWIOGQSSA-N
InChICode InChI=1S/C30H36O10/c1-7-21(31)39-27(18-14-28(3,4)19(12-22(32)37-6)16(2)24(18)34)30(36)10-9-29(5)20(25(30)35)13-23(33)40-26(29)17-8-11-38-15-17/h8,11,13-16,19,26-27,36H,7,9-10,12H2,1-6H3/t16-,19-,26+,27-,29-,30-/m1/s1
SMILES CCC(=O)OC(C1=CC(C)(C)C(CC(=O)OC)C(C)C1=O)C1(O)CCC2(C)C(=CC(=O)OC2c2ccoc2)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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