input word = C00059486

Metabolite InformationStructural formula
Name Hainangranatumin H
Formula C37H44O17
Mw 760.25784998
CAS RN 1248571-24-5
C_ID C00059486
InChIKey KVKWJIYJUPHQFZ-AHRPMSIESA-N
InChICode InChI=1S/C37H44O17/c1-16(38)47-22-13-34-32(7)25(24(27(43)45-9)48-17(2)39)30(5)15-35(32)37(28(30)44,51-19(4)41)29(49-18(3)40)36(34,54-33(8,52-34)53-35)21-12-23(42)50-26(31(21,22)6)20-10-11-46-14-20/h10-11,14,21-22,24-26,28-29,44H,12-13,15H2,1-9H3/t21-,22+,24+,25+,26+,28+,29+,30?,31+,32+,33-,34?,35-,36-,37+/m1/s1
SMILES COC(=O)C(OC(C)=O)C1C2(C)CC34OC5(C)OC6(C7CC(=O)OC(c8ccoc8)C7(C)C(OC(C)=O)CC6(O5)C13C)C(OC(C)=O)C4(OC(C)=O)C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
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