input word = C00039377

Metabolite InformationStructural formula
Name Hokbusine A
Formula C32H45NO10
Mw 603.30434667
CAS RN 86500-43-8
C_ID C00039377 ,
InChIKey GPKLKIFNFCDMHE-SSBSPGAUNA-N
InChICode InChI=1S/C32H45NO10/c1-33-14-29(15-38-2)18(34)12-19(39-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(42-6,25(35)27(30)41-5)21(24(31)33)22(40-4)23(29)31/h7-11,17-27,34-35,37H,12-15H2,1-6H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,29+,30?,31+,32+/m1/s1
SMILES COC[C@]12CN(C)C3C4[C@H](OC)[C@H]1C3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(OC)[C@@H](O)[C@@H]2OC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum japonicum Ref.
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